2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[2-(3-chloroanilino)-2-oxoethyl]thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-3H-benzimidazole-5-carboxylic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12ClN3O3S/c17-10-2-1-3-11(7-10)18-14(21)8-24-16-19-12-5-4-9(15(22)23)6-13(12)20-16/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)