4-methylsulfanyl-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(methylthio)-3-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(methylthio)-3-nitro-N-[4-(pyrazol-1-ylmethyl)benzyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

InChI

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