3-(3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-(3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(3-nitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(3-nitropyrazol-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-18(11-13-21-12-10-17(20-21)22(24)25)19-15-8-4-5-9-16(15)26-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,19,23)