2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=CC=C2

InChI

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