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

Systemtic Name: 2-methyl-5-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]pyrazole-3-carbaldehyde Openeye Name: 2-methyl-5-[3-nitro-4-(p-tolylsulfanyl)phenyl]pyrazole-3-carbaldehyde CAS Name: 2-methyl-5-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-3-pyrazolecarboxaldehyde IUPAC Name: 2-methyl-5-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]pyrazole-3-carbaldehyde Traditional Name: 2-methyl-5-[3-nitro-4-(p-tolylthio)phenyl]pyrazole-3-carbaldehyde Formula: C18H15N3O3S MolecularWeight: 353.395

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S/c1-12-3-6-15(7-4-12)25-18-8-5-13(9-17(18)21(23)24)16-10-14(11-22)20(2)19-16/h3-11H,1-2H3