5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-sulfanyl-benzoic acid

Systemtic Name: 5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-sulfanyl-benzoic acid Openeye Name: 5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid IUPAC Name: 5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-5-(2-phenyl-4,5-dihydrobenz[e]indol-3-yl)benzoic acid Formula: C25H19NO2S MolecularWeight: 397.48886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(N2C3=CC(=C(C=C3)S)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C51

Isomeric SMILES

C1CC2=C(C=C(N2C3=CC(=C(C=C3)S)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C25H19NO2S/c27-25(28)21-14-18(11-13-24(21)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,29H,10,12H2,(H,27,28)