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

Systemtic Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H20N4OS/c1-15-8-10-17(11-9-15)24-19(16-6-5-7-18(14-16)25-2)22-23-20(24)26-13-4-3-12-21/h5-11,14H,3-4,13H2,1-2H3