2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(tetrahydrothiopyran-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(4-thianylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(tetrahydrothiopyran-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1CSCCC1CC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C20H20N2O2S/c23-20(24)16-5-6-17-18(12-16)22-19(21-17)15-3-1-13(2-4-15)11-14-7-9-25-10-8-14/h1-6,12,14H,7-11H2,(H,21,22)(H,23,24)