1-(4-nitrophenoxy)-3-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propan-2-ol

Systemtic Name: 1-(4-nitrophenoxy)-3-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propan-2-ol Openeye Name: 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-(4-nitrophenoxy)-3-[2-(phenylmethylthio)-1-benzimidazolyl]-2-propanol IUPAC Name: 1-(2-benzylsulfanylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[2-(benzylthio)benzimidazol-1-yl]-3-(4-nitrophenoxy)propan-2-ol Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H21N3O4S/c27-19(15-30-20-12-10-18(11-13-20)26(28)29)14-25-22-9-5-4-8-21(22)24-23(25)31-16-17-6-2-1-3-7-17/h1-13,19,27H,14-16H2