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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16N4OS/c1-13-3-7-15(8-4-13)22-17(20-21-18(22)24-12-11-19)14-5-9-16(23-2)10-6-14/h3-10H,12H2,1-2H3