4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C16H16N4OS2 MolecularWeight: 344.45444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=CS2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=CS2)C3=CC=NC=C3

InChI

InChI=1S/C16H16N4OS2/c1-20-15(12-6-8-17-9-7-12)18-19-16(20)23-11-2-4-13(21)14-5-3-10-22-14/h3,5-10H,2,4,11H2,1H3