4-oxidanylidene-3-phenyl-N'-pyridin-3-ylcarbonyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-phenyl-N'-pyridin-3-ylcarbonyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 4-oxo-3-phenyl-N'-(pyridine-3-carbonyl)-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: 4-oxo-N'-[oxo(3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: 4-oxo-3-phenyl-N'-(pyridine-3-carbonyl)-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 4-keto-N'-nicotinoyl-3-phenyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NNC(=O)C4=CN=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NNC(=O)C4=CN=CC=C4)NC2=S

InChI

InChI=1S/C21H15N5O3S/c27-18(24-25-19(28)14-5-4-10-22-12-14)13-8-9-16-17(11-13)23-21(30)26(20(16)29)15-6-2-1-3-7-15/h1-12H,(H,23,30)(H,24,27)(H,25,28)