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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c13-11-14-12(16-15-11)19-8-10(17)18-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,13,14,15,16)