4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]morpholine

Systemtic Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]morpholine Openeye Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]morpholine CAS Name: 4-[3-(1H-benzimidazol-2-ylthio)-4-nitrophenyl]morpholine IUPAC Name: 4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]morpholine Traditional Name: 4-[3-(1H-benzimidazol-2-ylthio)-4-nitro-phenyl]morpholine Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H16N4O3S/c22-21(23)15-6-5-12(20-7-9-24-10-8-20)11-16(15)25-17-18-13-3-1-2-4-14(13)19-17/h1-6,11H,7-10H2,(H,18,19)