1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15-12-19(16(2)24(15)18-8-9-18)20(25)14-26-21-22-10-11-23(21)13-17-6-4-3-5-7-17/h3-7,10-12,18H,8-9,13-14H2,1-2H3