2-[[4-(4-chlorophenyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-chlorophenyl)-5-keto-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H7ClN4OS MolecularWeight: 266.70678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)NN=C2SCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)NN=C2SCC#N)Cl

InChI

InChI=1S/C10H7ClN4OS/c11-7-1-3-8(4-2-7)15-9(16)13-14-10(15)17-6-5-12/h1-4H,6H2,(H,13,16)