S-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl] 2-phenylethanethioate

Systemtic Name: S-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl] 2-phenylethanethioate Openeye Name: S-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[1-(2-hydroxyethyl)-5-nitro-2-benzimidazolyl] ester IUPAC Name: S-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(N2CCO)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(N2CCO)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c21-9-8-19-15-7-6-13(20(23)24)11-14(15)18-17(19)25-16(22)10-12-4-2-1-3-5-12/h1-7,11,21H,8-10H2