2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(CCC#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(CCC#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N5S/c1-16-7-5-11-19(13-16)26-20(18-9-3-2-4-10-18)24-25-21(26)27-15-17(14-23)8-6-12-22/h2-5,7,9-11,13,17H,6,8,15H2,1H3