3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CC3(CCC4C3(CCC5C4CCC6=C5C=CC(=C6)OC)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C5C=CC(=C6)OC)C)O

InChI

InChI=1S/C29H35N3O2S/c1-18-4-7-20(8-5-18)32-26(30-31-27(32)35)17-29(33)15-13-25-24-10-6-19-16-21(34-3)9-11-22(19)23(24)12-14-28(25,29)2/h4-5,7-9,11,16,23-25,33H,6,10,12-15,17H2,1-3H3,(H,31,35)/t23-,24-,25+,28+,29-/m1/s1