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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]benzoic acid Openeye Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]benzoic acid CAS Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]benzoic acid IUPAC Name: 4-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]benzoic acid Traditional Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S/c17-11-3-5-12(6-4-11)20-14(18-19-16(20)24)9-23-13-7-1-10(2-8-13)15(21)22/h1-8H,9H2,(H,19,24)(H,21,22)