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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N'-pyridin-3-ylcarbonyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-4-oxo-N'-(pyridine-3-carbonyl)-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: 4-oxo-N'-[oxo(3-pyridinyl)methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: 4-oxo-3-prop-2-enyl-N'-(pyridine-3-carbonyl)-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-4-keto-N'-nicotinoyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CN=CC=C3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CN=CC=C3)NC1=S

InChI

InChI=1S/C18H15N5O3S/c1-2-8-23-17(26)13-6-5-11(9-14(13)20-18(23)27)15(24)21-22-16(25)12-4-3-7-19-10-12/h2-7,9-10H,1,8H2,(H,20,27)(H,21,24)(H,22,25)