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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC#N

InChI

InChI=1S/C11H10N4S/c1-8-2-4-9(5-3-8)10-13-11(15-14-10)16-7-6-12/h2-5H,7H2,1H3,(H,13,14,15)