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

Systemtic Name: ethyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-2-17-10(16)8-18-12-13-11(14-15-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15)