N'-(3-nitrophenyl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(3-nitrophenyl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-N'-(3-nitrobenzoyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[(3-nitrophenyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(3-nitrobenzoyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-4-keto-N'-(3-nitrobenzoyl)-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C19H15N5O5S MolecularWeight: 425.4179

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C19H15N5O5S/c1-2-8-23-18(27)14-7-6-12(10-15(14)20-19(23)30)17(26)22-21-16(25)11-4-3-5-13(9-11)24(28)29/h2-7,9-10H,1,8H2,(H,20,30)(H,21,25)(H,22,26)