(4-ethoxyphenyl) 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-ethoxyphenyl) 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-ethoxyphenyl) 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid p-phenetyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O3S/c1-2-18-8-3-5-9(6-4-8)19-10(17)7-20-12-14-11(13)15-16-12/h3-6H,2,7H2,1H3,(H3,13,14,15,16)