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

Systemtic Name: ethyl 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: ethyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C13H16N4O2S/c1-2-19-11(18)8-17-12(14)15-16-13(17)20-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15)