4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid

Systemtic Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid Openeye Name: 4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid CAS Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid IUPAC Name: 4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid Traditional Name: 4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c20-15(21)11-6-8-13(9-7-11)22-10-14-17-18-16(23)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,23)(H,20,21)