(4S)-4-(2-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one

Systemtic Name: (4S)-4-(2-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Openeye Name: (4S)-4-(2-nitrophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one CAS Name: (4S)-4-(2-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one IUPAC Name: (4S)-4-(2-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Traditional Name: (4S)-4-(2-nitrophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](NC(=S)N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C14H13N3O3S/c18-11-7-3-5-9-12(11)13(16-14(21)15-9)8-4-1-2-6-10(8)17(19)20/h1-2,4,6,13H,3,5,7H2,(H2,15,16,21)/t13-/m0/s1