5-(furan-2-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(furan-2-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-3-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H16N4O4S/c1-13-4-6-16(7-5-13)30-17-10-14(9-15(11-17)25(27)28)22-21(26)19-12-18(23-24-19)20-3-2-8-29-20/h2-12H,1H3,(H,22,26)(H,23,24)