2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyridine-4-carboxylate

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyridine-4-carboxylate Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyridine-4-carboxylate CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-4-pyridinecarboxylate IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyridine-4-carboxylate Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]isonicotinate Formula: C14H10N3O3S- MolecularWeight: 300.3125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SC3=NC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SC3=NC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-20-9-2-3-10-11(7-9)17-14(16-10)21-12-6-8(13(18)19)4-5-15-12/h2-7H,1H3,(H,16,17)(H,18,19)/p-1