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Substance Name: Ethanethioic acid, ((3-nitrophenyl)amino)-, S-(5-(4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl) ester
RN: 127227-41-2
InChIKey: ARAJASFGJMDFHH-DJKKODMXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H17-N7-O4-S2

Molecular Weight

  • 519.5643
 
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Names and Synonyms

Synonym

  • BRN 4221139

Systematic Name

  • Ethanethioic acid, ((3-nitrophenyl)amino)-, S-(5-(4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl) ester

Registry Numbers

CAS Registry Number

  • 127227-41-2

System Generated Number

  • 0127227412

Structure Descriptors

InChI

1S/C23H17N7O4S2/c1-13-26-19(9-14-11-25-18-8-3-2-7-17(14)18)21(32)29(13)22-27-28-23(36-22)35-20(31)12-24-15-5-4-6-16(10-15)30(33)34/h2-11,24-25H,12H2,1H3/b19-9+

InChIKey

ARAJASFGJMDFHH-DJKKODMXSA-N

Smiles

CC1=N/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1c4nnc(s4)SC(=O)CNc5cccc(c5)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 29, Pg. 85, 1990.