2-(2,5-dimethylphenyl)sulfanyl-N'-(3-nitrophenyl)carbonyl-pyridine-3-carbohydrazide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N'-(3-nitrophenyl)carbonyl-pyridine-3-carbohydrazide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N'-(3-nitrobenzoyl)pyridine-3-carbohydrazide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N'-[(3-nitrophenyl)-oxomethyl]-3-pyridinecarbohydrazide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N'-(3-nitrobenzoyl)pyridine-3-carbohydrazide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N'-(3-nitrobenzoyl)nicotinohydrazide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-13-8-9-14(2)18(11-13)30-21-17(7-4-10-22-21)20(27)24-23-19(26)15-5-3-6-16(12-15)25(28)29/h3-12H,1-2H3,(H,23,26)(H,24,27)