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

Systemtic Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N4S/c1-3-4-5-17-8-12-19(13-9-17)25-20(18-10-6-16(2)7-11-18)23-24-21(25)26-15-14-22/h6-13H,3-5,15H2,1-2H3