4-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl)benzoic acid

Systemtic Name: 4-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl)benzoic acid Openeye Name: 4-(6-phenyl-2-thioxo-1,4-dihydro-1,3,5-triazin-3-yl)benzoic acid CAS Name: 4-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl)benzoic acid IUPAC Name: 4-(6-phenyl-2-sulfanylidene-1,4-dihydro-1,3,5-triazin-3-yl)benzoic acid Traditional Name: 4-(6-phenyl-2-thioxo-1,4-dihydro-s-triazin-3-yl)benzoic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=S)N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1N=C(NC(=S)N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

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