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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-methoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC#N

InChI

InChI=1S/C19H18N4O2S/c1-14-4-3-5-17(12-14)25-13-18-21-22-19(26-11-10-20)23(18)15-6-8-16(24-2)9-7-15/h3-9,12H,11,13H2,1-2H3