4-methylsulfanyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 4-(methylthio)-3-nitro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 4-(methylthio)-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-27-18-8-5-15(13-17(18)23(25)26)19(24)20-11-9-14-3-6-16(7-4-14)22-12-2-10-21-22/h2-8,10,12-13H,9,11H2,1H3,(H,20,24)