1-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-15-13-19(16(2)25(15)17-9-5-3-6-10-17)20(27)14-28-21-22-23-24-26(21)18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3