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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H7ClN4S MolecularWeight: 250.70738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN4S/c11-8-2-1-3-9(6-8)15-7-13-14-10(15)16-5-4-12/h1-3,6-7H,5H2