4-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid

Systemtic Name: 4-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid Openeye Name: 4-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid CAS Name: 4-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid IUPAC Name: 4-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid Traditional Name: 4-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)benzoic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

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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

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2S/c24-21(25)15-10-12-16(13-11-15)23-18-9-5-4-8-17(18)20(26)22-19(23)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,24,25)