N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C19H17ClN4O4S MolecularWeight: 432.88068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O4S/c1-12(23-11-16(24(26)27)19(22-23)28-2)18(25)21-15-5-3-4-6-17(15)29-14-9-7-13(20)8-10-14/h3-12H,1-2H3,(H,21,25)