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

Systemtic Name: 4-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N4S/c1-3-4-7-19-10-14-21(15-11-19)27-22(20-12-8-18(2)9-13-20)25-26-23(27)28-17-6-5-16-24/h8-15H,3-7,17H2,1-2H3