N-(2,3-dimethylcyclohexyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H30N4OS/c1-18-9-8-12-22(19(18)2)26-23(29)17-30-16-20-15-25-28(21-10-4-3-5-11-21)24(20)27-13-6-7-14-27/h3-7,10-11,13-15,18-19,22H,8-9,12,16-17H2,1-2H3,(H,26,29)