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

Systemtic Name: (2R)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC[C@H](CCC#N)C#N)C

InChI

InChI=1S/C16H17N5S/c1-12-5-7-15(8-6-12)21-13(2)19-20-16(21)22-11-14(10-18)4-3-9-17/h5-8,14H,3-4,11H2,1-2H3/t14-/m1/s1