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

Systemtic Name: 2-chloranyl-5-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-chloro-5-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-chloro-5-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H14ClN3O3S/c1-2-24-12-6-3-10(4-7-12)15-19-20-17(25)21(15)11-5-8-14(18)13(9-11)16(22)23/h3-9H,2H2,1H3,(H,20,25)(H,22,23)