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

Systemtic Name: ethanedioic acid; 1-[4-(4-methylphenyl)sulfanylbutyl]benzimidazole Openeye Name: oxalic acid; 1-[4-(p-tolylsulfanyl)butyl]benzimidazole CAS Name: 1-[4-[(4-methylphenyl)thio]butyl]benzimidazole; oxalic acid IUPAC Name: 1-[4-(4-methylphenyl)sulfanylbutyl]benzimidazole; oxalic acid Traditional Name: oxalic acid; 1-[4-(p-tolylthio)butyl]benzimidazole Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2S.C2H2O4/c1-15-8-10-16(11-9-15)21-13-5-4-12-20-14-19-17-6-2-3-7-18(17)20;3-1(4)2(5)6/h2-3,6-11,14H,4-5,12-13H2,1H3;(H,3,4)(H,5,6)