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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N

InChI

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