6,6-dimethyl-3-(3-methylphenyl)sulfanyl-1-pyridin-2-yl-2,3,3a,5,7,7a-hexahydroindol-4-one

Systemtic Name: 6,6-dimethyl-3-(3-methylphenyl)sulfanyl-1-pyridin-2-yl-2,3,3a,5,7,7a-hexahydroindol-4-one Openeye Name: 6,6-dimethyl-3-(m-tolylsulfanyl)-1-(2-pyridyl)-2,3,3a,5,7,7a-hexahydroindol-4-one CAS Name: 6,6-dimethyl-3-[(3-methylphenyl)thio]-1-(2-pyridinyl)-2,3,3a,5,7,7a-hexahydroindol-4-one IUPAC Name: 6,6-dimethyl-3-(3-methylphenyl)sulfanyl-1-pyridin-2-yl-2,3,3a,5,7,7a-hexahydroindol-4-one Traditional Name: 6,6-dimethyl-3-(m-tolylthio)-1-(2-pyridyl)-2,3,3a,5,7,7a-hexahydroindol-4-one Formula: C22H26N2OS MolecularWeight: 366.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2CN(C3C2C(=O)CC(C3)(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)SC2CN(C3C2C(=O)CC(C3)(C)C)C4=CC=CC=N4

InChI

InChI=1S/C22H26N2OS/c1-15-7-6-8-16(11-15)26-19-14-24(20-9-4-5-10-23-20)17-12-22(2,3)13-18(25)21(17)19/h4-11,17,19,21H,12-14H2,1-3H3