2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate

Systemtic Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate Openeye Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate CAS Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate IUPAC Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate Traditional Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thiolate Formula: C14H12N3O2S- MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C14H13N3O2S/c18-17(19)10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(20)16-13/h5-8H,1-4H2,(H,15,16,20)/p-1