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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4OS/c1-23-16-9-7-15(8-10-16)22-17(13-14-5-3-2-4-6-14)20-21-18(22)24-12-11-19/h2-10H,12-13H2,1H3