8,9-dimethoxy-6-(3-phenylsulfanylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine

Systemtic Name: 8,9-dimethoxy-6-(3-phenylsulfanylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine Openeye Name: 8,9-dimethoxy-6-(3-phenylsulfanylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine CAS Name: 8,9-dimethoxy-6-[3-(phenylthio)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridine IUPAC Name: 8,9-dimethoxy-6-(3-phenylsulfanylphenyl)-1,2,3,4,4a,10b-hexahydrophenanthridine Traditional Name: 8,9-dimethoxy-6-[3-(phenylthio)phenyl]-1,2,3,4,4a,10b-hexahydrophenanthridine Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC(=CC=C4)SC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC(=CC=C4)SC5=CC=CC=C5)OC

InChI

InChI=1S/C27H27NO2S/c1-29-25-16-22-21-13-6-7-14-24(21)28-27(23(22)17-26(25)30-2)18-9-8-12-20(15-18)31-19-10-4-3-5-11-19/h3-5,8-12,15-17,21,24H,6-7,13-14H2,1-2H3