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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4OS/c1-16(2)19-8-4-5-9-20(19)26-21(17-10-12-18(27-3)13-11-17)24-25-22(26)28-15-7-6-14-23/h4-5,8-13,16H,6-7,15H2,1-3H3