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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H18N4S MolecularWeight: 334.43802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4S/c1-15-9-11-17(12-10-15)23-18(16-7-3-2-4-8-16)21-22-19(23)24-14-6-5-13-20/h2-4,7-12H,5-6,14H2,1H3