N-(3-methylsulfanylphenyl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O3S/c1-32-22-9-5-6-19(15-22)25-23(29)14-18-16-27(20-7-3-2-4-8-20)26-24(18)17-10-12-21(13-11-17)28(30)31/h2-13,15-16H,14H2,1H3,(H,25,29)