4-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]carbamoyl]benzoic acid

Systemtic Name: 4-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-1,2,3,4-tetrazol-5-yl)butyl]carbamoyl]benzoic acid Openeye Name: 4-[4-(2H-tetrazol-5-yl)butyl-(2-thioxo-1H-thiazolo[5,4-b]pyridin-5-yl)carbamoyl]benzoic acid CAS Name: 4-[oxo-[(2-sulfanylidene-1H-thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-tetrazol-5-yl)butyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)-[4-(2H-tetrazol-5-yl)butyl]carbamoyl]benzoic acid Traditional Name: 4-[4-(2H-tetrazol-5-yl)butyl-(2-thioxo-1H-thiazolo[5,4-b]pyridin-5-yl)carbamoyl]benzoic acid Formula: C19H17N7O3S2 MolecularWeight: 455.51338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(CCCCC2=NNN=N2)C3=NC4=C(C=C3)NC(=S)S4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(CCCCC2=NNN=N2)C3=NC4=C(C=C3)NC(=S)S4)C(=O)O

InChI

InChI=1S/C19H17N7O3S2/c27-17(11-4-6-12(7-5-11)18(28)29)26(10-2-1-3-14-22-24-25-23-14)15-9-8-13-16(21-15)31-19(30)20-13/h4-9H,1-3,10H2,(H,20,30)(H,28,29)(H,22,23,24,25)