N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N6OS2 MolecularWeight: 440.58486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C4CCCCC4)C

InChI

InChI=1S/C21H24N6OS2/c1-13-14(2)27(15-7-4-3-5-8-15)20(16(13)11-22)23-18(28)12-30-21-24-19(25-26-21)17-9-6-10-29-17/h6,9-10,15H,3-5,7-8,12H2,1-2H3,(H,23,28)(H,24,25,26)