3-ethyl-1-(3-nitrophenyl)-2-sulfanylidene-quinazolin-4-one

Systemtic Name: 3-ethyl-1-(3-nitrophenyl)-2-sulfanylidene-quinazolin-4-one Openeye Name: 3-ethyl-1-(3-nitrophenyl)-2-thioxo-quinazolin-4-one CAS Name: 3-ethyl-1-(3-nitrophenyl)-2-sulfanylidene-4-quinazolinone IUPAC Name: 3-ethyl-1-(3-nitrophenyl)-2-sulfanylidenequinazolin-4-one Traditional Name: 3-ethyl-1-(3-nitrophenyl)-2-thioxo-quinazolin-4-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-2-17-15(20)13-8-3-4-9-14(13)18(16(17)23)11-6-5-7-12(10-11)19(21)22/h3-10H,2H2,1H3