2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N4O3S/c24-17-9-14(11-4-2-1-3-5-11)22-19(23-17)27-10-16-20-13-7-6-12(18(25)26)8-15(13)21-16/h1-9H,10H2,(H,20,21)(H,25,26)(H,22,23,24)