6-methyl-5-(4-phenylbutanethioyl)-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 6-methyl-5-(4-phenylbutanethioyl)-1H-benzimidazole-2-carboxylic acid Openeye Name: 6-methyl-5-(4-phenylbutanethioyl)-1H-benzimidazole-2-carboxylic acid CAS Name: 6-methyl-5-(4-phenyl-1-sulfanylidenebutyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 6-methyl-5-(4-phenylbutanethioyl)-1H-benzimidazole-2-carboxylic acid Traditional Name: 6-methyl-5-(4-phenylbutanethioyl)-1H-benzimidazole-2-carboxylic acid Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=S)CCCC3=CC=CC=C3)N=C(N2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C(=S)CCCC3=CC=CC=C3)N=C(N2)C(=O)O

InChI

InChI=1S/C19H18N2O2S/c1-12-10-15-16(21-18(20-15)19(22)23)11-14(12)17(24)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,21)(H,22,23)