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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4OS/c1-14(2)17-6-4-5-7-18(17)24-19(22-23-20(24)26-13-12-21)15-8-10-16(25-3)11-9-15/h4-11,14H,13H2,1-3H3