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

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

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-28-19-16(24(26)27)12-23(22-19)11-10-18(25)21-15-4-2-3-5-17(15)29-14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,25)