1-[5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)-2-furyl]-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-[4-(methylthio)phenyl]-3-[5-(4-nitrophenyl)-2-furanyl]-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(4-methylsulfanylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-[4-(methylthio)phenyl]-5-[5-(4-nitrophenyl)-2-furyl]-2-pyrazolin-1-yl]ethanone Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-14(26)24-20(13-19(23-24)15-5-9-18(30-2)10-6-15)22-12-11-21(29-22)16-3-7-17(8-4-16)25(27)28/h3-12,20H,13H2,1-2H3