3-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCC#N

InChI

InChI=1S/C19H18N4S/c1-14-4-8-16(9-5-14)18-21-22-19(24-13-3-12-20)23(18)17-10-6-15(2)7-11-17/h4-11H,3,13H2,1-2H3