2-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl-(phenylmethyl)amino]ethanenitrile

Systemtic Name: 2-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl-(phenylmethyl)amino]ethanenitrile Openeye Name: 2-[benzyl-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]amino]acetonitrile CAS Name: 2-[[3-(4-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl-(phenylmethyl)amino]acetonitrile IUPAC Name: 2-[benzyl-[[3-(4-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]amino]acetonitrile Traditional Name: 2-[benzyl-[[3-(4-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]amino]acetonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN(C2=S)CN(CC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN(C2=S)CN(CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-25-19-9-7-18(8-10-19)24-14-13-23(20(24)26)16-22(12-11-21)15-17-5-3-2-4-6-17/h2-10,13-14H,12,15-16H2,1H3