N'-[4-[(4-methylphenyl)methylsulfanyl]-3-nitro-phenyl]carbonylpyridine-4-carbohydrazide

Systemtic Name: N'-[4-[(4-methylphenyl)methylsulfanyl]-3-nitro-phenyl]carbonylpyridine-4-carbohydrazide Openeye Name: N'-[3-nitro-4-(p-tolylmethylsulfanyl)benzoyl]pyridine-4-carbohydrazide CAS Name: N'-[[4-[(4-methylphenyl)methylthio]-3-nitrophenyl]-oxomethyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[4-[(4-methylphenyl)methylsulfanyl]-3-nitrobenzoyl]pyridine-4-carbohydrazide Traditional Name: N'-[4-[(4-methylbenzyl)thio]-3-nitro-benzoyl]isonicotinohydrazide Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

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