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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-benzyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-benzyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-benzyl-5-(2-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=CC=C1C2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

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