2-[(4-cyano-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(4-cyano-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(4-cyano-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(4-cyano-1H-benzimidazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(4-cyano-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(4-cyano-1H-benzimidazol-2-yl)thio]methyl]succinic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)SCC(CC(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)SCC(CC(=O)O)C(=O)O)C#N

InChI

InChI=1S/C13H11N3O4S/c14-5-7-2-1-3-9-11(7)16-13(15-9)21-6-8(12(19)20)4-10(17)18/h1-3,8H,4,6H2,(H,15,16)(H,17,18)(H,19,20)