5-methyl-4-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[1-[4-(methylthio)phenyl]-2-nitroethyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[1-(4-methylsulfanylphenyl)-2-nitroethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-[1-[4-(methylthio)phenyl]-2-nitro-ethyl]-2-phenyl-3-pyrazolin-3-one Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H19N3O3S/c1-13-18(19(23)22(20-13)15-6-4-3-5-7-15)17(12-21(24)25)14-8-10-16(26-2)11-9-14/h3-11,17,20H,12H2,1-2H3