ethanedioic acid; 2-(1-phenylbenzimidazol-2-yl)sulfanylethanamine

Systemtic Name: ethanedioic acid; 2-(1-phenylbenzimidazol-2-yl)sulfanylethanamine Openeye Name: oxalic acid; 2-(1-phenylbenzimidazol-2-yl)sulfanylethanamine CAS Name: oxalic acid; 2-[(1-phenyl-2-benzimidazolyl)thio]ethanamine IUPAC Name: oxalic acid; 2-(1-phenylbenzimidazol-2-yl)sulfanylethanamine Traditional Name: oxalic acid; 2-[(1-phenylbenzimidazol-2-yl)thio]ethylamine Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15N3S.C2H2O4/c16-10-11-19-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12;3-1(4)2(5)6/h1-9H,10-11,16H2;(H,3,4)(H,5,6)