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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 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-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC(=S)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC(=S)NC2=O

InChI

InChI=1S/C16H12N4O5S/c21-13-4-2-10(20(24)25)5-9(13)7-17-14(22)8-1-3-11-12(6-8)18-16(26)19-15(11)23/h1-6,21H,7H2,(H,17,22)(H2,18,19,23,26)