2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(4-amino-2-thioxo-quinazolin-3-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(4-amino-2-sulfanylidene-3-quinazolinyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(4-amino-2-sulfanylidenequinazolin-3-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(4-amino-2-thioxo-quinazolin-3-yl)-1-(4-nitrophenyl)ethanone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N(C(=S)N=C2C=C1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC2=C(N(C(=S)N=C2C=C1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H12N4O3S/c17-15-12-3-1-2-4-13(12)18-16(24)19(15)9-14(21)10-5-7-11(8-6-10)20(22)23/h1-8H,9,17H2