N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

InChI

InChI=1S/C25H24N6OS/c1-17-9-7-8-12-22(17)31-16-27-29-25(31)33-15-23(32)28-24-21(13-26)18(2)19(3)30(24)14-20-10-5-4-6-11-20/h4-12,16H,14-15H2,1-3H3,(H,28,32)