4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid

Systemtic Name: 4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid Openeye Name: 4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid CAS Name: 4-[2-[(4-nitrophenyl)thio]-4,5-dihydroimidazol-1-yl]benzoic acid IUPAC Name: 4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid Traditional Name: 4-[2-[(4-nitrophenyl)thio]-2-imidazolin-1-yl]benzoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(C(=N1)SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c20-15(21)11-1-3-12(4-2-11)18-10-9-17-16(18)24-14-7-5-13(6-8-14)19(22)23/h1-8H,9-10H2,(H,20,21)