名称: 2-nitro-6-(phenylthio)benzonitrile

IUPAC: 2-nitro-6-phenylsulfanylbenzonitrile

SMILES: N#Cc1c(Sc2ccccc2)cccc1[N+](=O)[O-]

Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)[N+](=O)[O-]

分子式: C13H8N2O2S

分子量: 256.28

InChIKey: SPEVITMHQHJJBV-UHFFFAOYSA-N

InChI: InChI=1S/C13H8N2O2S/c14-9-11-12(15(16)17)7-4-8-13(11)18-10-5-2-1-3-6-10/h1-8H

同义词

SCHEMBL2421409SPEVITMHQHJJBV-UHFFFAOYSA-N2-nitro-6-(phenylthio)benzonitrile