ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropyl]benzimidazole

Systemtic Name: ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropyl]benzimidazole Openeye Name: oxalic acid; 1-[3-(p-tolylsulfanyl)propyl]benzimidazole CAS Name: 1-[3-[(4-methylphenyl)thio]propyl]benzimidazole; oxalic acid IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropyl]benzimidazole; oxalic acid Traditional Name: oxalic acid; 1-[3-(p-tolylthio)propyl]benzimidazole Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2S.C2H2O4/c1-14-7-9-15(10-8-14)20-12-4-11-19-13-18-16-5-2-3-6-17(16)19;3-1(4)2(5)6/h2-3,5-10,13H,4,11-12H2,1H3;(H,3,4)(H,5,6)