2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N3O2S/c1-4-6-15-17-18-16(19(15)5-2)22-11-14(20)12-7-9-13(21-3)10-8-12/h7-10H,4-6,11H2,1-3H3