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

Systemtic Name: ethyl 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C14H16N4O3S/c1-3-21-12(20)8-22-14-16-13(17-18-14)10-4-6-11(7-5-10)15-9(2)19/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17,18)