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

Systemtic Name: ethyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CCC2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-3-20-14(19)11-21-15-17-16-13(18(15)2)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3