4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid

Systemtic Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Openeye Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid CAS Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid IUPAC Name: 4-[2-(3-nitrophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Traditional Name: 4-[2-(3-nitrophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]benzoic acid Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c25-21(26)13-8-10-15(11-9-13)23-18-7-2-1-6-17(18)20(29)22-19(23)14-4-3-5-16(12-14)24(27)28/h3-5,8-12H,1-2,6-7H2,(H,25,26)