4-[(7-oxidanylidene-6-phenyl-5-sulfanylidene-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid

Systemtic Name: 4-[(7-oxidanylidene-6-phenyl-5-sulfanylidene-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid Openeye Name: 4-[(7-oxo-6-phenyl-5-thioxo-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid CAS Name: 4-[(7-oxo-6-phenyl-5-sulfanylidene-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid IUPAC Name: 4-[(7-oxo-6-phenyl-5-sulfanylidene-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid Traditional Name: 4-[(7-keto-6-phenyl-5-thioxo-7aH-imidazo[1,5-b][1,4,2]dithiazol-2-ylidene)amino]benzoic acid Formula: C17H11N3O3S3 MolecularWeight: 401.48254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3N(C2=S)SC(=NC4=CC=C(C=C4)C(=O)O)S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3N(C2=S)SC(=NC4=CC=C(C=C4)C(=O)O)S3

InChI

InChI=1S/C17H11N3O3S3/c21-13-14-20(17(24)19(13)12-4-2-1-3-5-12)26-16(25-14)18-11-8-6-10(7-9-11)15(22)23/h1-9,14H,(H,22,23)