1-(2,5-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H19N3OS2/c1-3-12-7-8-13(4-2)14(10-12)15(22)11-24-18-19-17(20-21-18)16-6-5-9-23-16/h5-10H,3-4,11H2,1-2H3,(H,19,20,21)