2-[2-(3,3-diphenylpropylsulfanyl)-6-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3,3-diphenylpropylsulfanyl)-6-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(3,3-diphenylpropylsulfanyl)-6-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-(3,3-diphenylpropylthio)-6-nitro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(3,3-diphenylpropylsulfanyl)-6-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(3,3-diphenylpropylthio)-6-nitro-benzimidazol-1-yl]acetic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSC2=NC3=C(N2CC(=O)O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCSC2=NC3=C(N2CC(=O)O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c28-23(29)16-26-22-15-19(27(30)31)11-12-21(22)25-24(26)32-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,28,29)