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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(m-tolyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC(=CC=C3)C

InChI

InChI=1S/C19H18N4OS/c1-3-24-17-9-7-16(8-10-17)23-18(15-6-4-5-14(2)13-15)21-22-19(23)25-12-11-20/h4-10,13H,3,12H2,1-2H3