4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=S)N2)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=S)N2)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2S/c20-15(21)11-7-5-10(6-8-11)9-17-14-12-3-1-2-4-13(12)18-16(22)19-14/h1-8H,9H2,(H,20,21)(H2,17,18,19,22)