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

Systemtic Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)butan-1-one Formula: C15H19N3OS2 MolecularWeight: 321.46086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C15H19N3OS2/c19-12(13-8-4-9-20-13)7-3-10-21-15-16-14(17-18-15)11-5-1-2-6-11/h4,8-9,11H,1-3,5-7,10H2,(H,16,17,18)