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Substance Name: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-
RN: 117491-01-7
InChIKey: ROFRUSCQSUWSMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-Cl-N2-O-S

Molecular Weight

  • 318.8265
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-3-pyridinecarbonitrile
  • BRN 5589612

Systematic Name

  • 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 117491-01-7

System Generated Number

  • 0117491017

Structure Descriptors

InChI

1S/C16H15ClN2OS/c1-9-14(10(2)20)15(11-4-6-12(17)7-5-11)13(8-18)16(19-9)21-3/h4-7,15,19H,1-3H3

InChIKey

ROFRUSCQSUWSMA-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)SC)C#N)c2ccc(cc2)Cl)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 51, Pg. 191, 1988.