N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-21(13-14-6-8-17(27-2)9-7-14)19(24)18-10-11-22(20-18)15-4-3-5-16(12-15)23(25)26/h3-12H,13H2,1-2H3