4-[4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid

Systemtic Name: 4-[4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Openeye Name: 4-[4-(4-methoxyphenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid CAS Name: 4-[4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid IUPAC Name: 4-[4-(4-methoxyphenyl)-2-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Traditional Name: 4-[4-(4-methoxyphenyl)-2-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=S)N(C3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=S)N(C3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S/c1-32-21-13-9-17(10-14-21)22-15-23(18-5-3-2-4-6-18)28-24-16-29(26(33)25(22)24)20-11-7-19(8-12-20)27(30)31/h2-15H,16H2,1H3,(H,30,31)