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

Systemtic Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-24-18-20-19-17(14-9-5-3-6-10-14)21(18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3