tert-butyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C15H19N3O2S/c1-11-16-17-14(18(11)12-8-6-5-7-9-12)21-10-13(19)20-15(2,3)4/h5-9H,10H2,1-4H3