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

Systemtic Name: 4-[4-(4-chlorophenyl)-5-sulfanylidene-2-thiophen-2-yl-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Openeye Name: 4-[4-(4-chlorophenyl)-2-(2-thienyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid CAS Name: 4-[4-(4-chlorophenyl)-5-sulfanylidene-2-thiophen-2-yl-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid IUPAC Name: 4-[4-(4-chlorophenyl)-5-sulfanylidene-2-thiophen-2-yl-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Traditional Name: 4-[4-(4-chlorophenyl)-2-(2-thienyl)-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl]benzoic acid Formula: C24H15ClN2O2S2 MolecularWeight: 462.9711

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C(=S)N1C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C(=S)N1C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H15ClN2O2S2/c25-16-7-3-14(4-8-16)18-12-19(21-2-1-11-31-21)26-20-13-27(23(30)22(18)20)17-9-5-15(6-10-17)24(28)29/h1-12H,13H2,(H,28,29)