4-(1-cyclopentyl-6-nitro-4-oxidanylidene-2-sulfanylidene-quinazolin-3-yl)benzoic acid

Systemtic Name: 4-(1-cyclopentyl-6-nitro-4-oxidanylidene-2-sulfanylidene-quinazolin-3-yl)benzoic acid Openeye Name: 4-(1-cyclopentyl-6-nitro-4-oxo-2-thioxo-quinazolin-3-yl)benzoic acid CAS Name: 4-(1-cyclopentyl-6-nitro-4-oxo-2-sulfanylidene-3-quinazolinyl)benzoic acid IUPAC Name: 4-(1-cyclopentyl-6-nitro-4-oxo-2-sulfanylidenequinazolin-3-yl)benzoic acid Traditional Name: 4-(1-cyclopentyl-4-keto-6-nitro-2-thioxo-quinazolin-3-yl)benzoic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H17N3O5S/c24-18-16-11-15(23(27)28)9-10-17(16)21(13-3-1-2-4-13)20(29)22(18)14-7-5-12(6-8-14)19(25)26/h5-11,13H,1-4H2,(H,25,26)