N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]thio]acetamide IUPAC Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide Traditional Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)thio]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=C(N2)C)CC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=C(N2)C)CC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-14(2)10-20-16(4)25-23(27-20)30-13-21(29)28-22-18(12-24)15(3)19(26-22)11-17-8-6-5-7-9-17/h5-9,14,26H,10-11,13H2,1-4H3,(H,25,27)(H,28,29)