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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N)C

InChI

InChI=1S/C26H26N6OS/c1-17-9-8-12-22(13-17)32-20(4)29-30-26(32)34-16-24(33)28-25-23(14-27)18(2)19(3)31(25)15-21-10-6-5-7-11-21/h5-13H,15-16H2,1-4H3,(H,28,33)