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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-2-18-9-5-3-8(4-6-9)11-13-14-12(19)15(11)7-10(16)17/h3-6H,2,7H2,1H3,(H,14,19)(H,16,17)