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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H10ClN5S MolecularWeight: 327.7914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=NN=C2SCC#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=NN=C2SCC#N)C3=CN=CC=C3

InChI

InChI=1S/C15H10ClN5S/c16-12-4-1-5-13(9-12)21-14(11-3-2-7-18-10-11)19-20-15(21)22-8-6-17/h1-5,7,9-10H,8H2