3-heptan-2-ylsulfanyl-5-methyl-1-oxidanyl-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one

Systemtic Name: 3-heptan-2-ylsulfanyl-5-methyl-1-oxidanyl-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one Openeye Name: 1-hydroxy-5-methyl-3-(1-methylhexylsulfanyl)-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one CAS Name: 3-(heptan-2-ylthio)-1-hydroxy-5-methyl-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one IUPAC Name: 3-heptan-2-ylsulfanyl-1-hydroxy-5-methyl-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one Traditional Name: 1-hydroxy-5-methyl-3-(1-methylhexylthio)-6,6a,7,8,10,10a-hexahydrophenanthridin-9-one Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SC1=CC(=C2C3CC(=O)CCC3CN(C2=C1)C)O

Isomeric SMILES

CCCCCC(C)SC1=CC(=C2C3CC(=O)CCC3CN(C2=C1)C)O

InChI

InChI=1S/C21H31NO2S/c1-4-5-6-7-14(2)25-17-11-19-21(20(24)12-17)18-10-16(23)9-8-15(18)13-22(19)3/h11-12,14-15,18,24H,4-10,13H2,1-3H3