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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(3-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-benzyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

InChI=1S/C18H16N4S/c1-14-6-5-9-16(12-14)17-20-21-18(23-11-10-19)22(17)13-15-7-3-2-4-8-15/h2-9,12H,11,13H2,1H3