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

Systemtic Name: ethyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c1-2-18-10(17)9(8-6-4-3-5-7-8)19-12-14-11(13)15-16-12/h3-7,9H,2H2,1H3,(H3,13,14,15,16)