N'-(4-methylphenyl)carbonyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbohydrazide

Systemtic Name: N'-(4-methylphenyl)carbonyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbohydrazide Openeye Name: N'-(4-methylbenzoyl)-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbohydrazide CAS Name: N'-[(4-methylphenyl)-oxomethyl]-2-[(3-nitrophenyl)methylthio]-3-pyridinecarbohydrazide IUPAC Name: N'-(4-methylbenzoyl)-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbohydrazide Traditional Name: 2-[(3-nitrobenzyl)thio]-N'-p-toluoyl-nicotinohydrazide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-14-7-9-16(10-8-14)19(26)23-24-20(27)18-6-3-11-22-21(18)30-13-15-4-2-5-17(12-15)25(28)29/h2-12H,13H2,1H3,(H,23,26)(H,24,27)