5-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-phenyl-pyrazole-3-carbaldehyde

Systemtic Name: 5-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-phenyl-pyrazole-3-carbaldehyde Openeye Name: 5-[3-nitro-4-(p-tolylsulfanyl)phenyl]-2-phenyl-pyrazole-3-carbaldehyde CAS Name: 5-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-phenyl-3-pyrazolecarboxaldehyde IUPAC Name: 5-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-2-phenylpyrazole-3-carbaldehyde Traditional Name: 5-[3-nitro-4-(p-tolylthio)phenyl]-2-phenyl-pyrazole-3-carbaldehyde Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=NN(C(=C3)C=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=NN(C(=C3)C=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O3S/c1-16-7-10-20(11-8-16)30-23-12-9-17(13-22(23)26(28)29)21-14-19(15-27)25(24-21)18-5-3-2-4-6-18/h2-15H,1H3