methyl 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoate

Systemtic Name: methyl 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoate Openeye Name: methyl 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCCC2=CC=CC=C2)N

InChI

InChI=1S/C13H16N4O2S/c1-19-11(18)9-17-12(14)15-16-13(17)20-8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,15)