3-[5-(3-methyl-4-nitro-phenyl)furan-2-yl]-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carbaldehyde

Systemtic Name: 3-[5-(3-methyl-4-nitro-phenyl)furan-2-yl]-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carbaldehyde Openeye Name: 3-[5-(3-methyl-4-nitro-phenyl)-2-furyl]-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carbaldehyde CAS Name: 3-[5-(3-methyl-4-nitrophenyl)-2-furanyl]-5-[4-(methylthio)phenyl]-3,4-dihydropyrazole-2-carboxaldehyde IUPAC Name: 3-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carbaldehyde Traditional Name: 5-[5-(3-methyl-4-nitro-phenyl)-2-furyl]-3-[4-(methylthio)phenyl]-2-pyrazoline-1-carbaldehyde Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(O2)C3CC(=NN3C=O)C4=CC=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(O2)C3CC(=NN3C=O)C4=CC=C(C=C4)SC)[N+](=O)[O-]

InChI

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