N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-methyl-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propionamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O3S/c1-13(11-23-12-15(10-21-23)24(26)27)19(25)22-17-4-2-3-5-18(17)28-16-8-6-14(20)7-9-16/h2-10,12-13H,11H2,1H3,(H,22,25)