N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-hydroxy-5-nitro-benzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC1=S

InChI

InChI=1S/C19H16N4O5S/c1-2-7-22-18(26)14-5-3-11(9-15(14)21-19(22)29)17(25)20-10-12-8-13(23(27)28)4-6-16(12)24/h2-6,8-9,24H,1,7,10H2,(H,20,25)(H,21,29)