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

Systemtic Name: 2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(m-toluidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC#N

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC#N

InChI

InChI=1S/C18H17N5S/c1-14-6-5-7-15(12-14)20-13-17-21-22-18(24-11-10-19)23(17)16-8-3-2-4-9-16/h2-9,12,20H,11,13H2,1H3