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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-diethylphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2,5-diethylphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-diethylphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-diethylphenyl)ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C21H23N3OS2/c1-3-14-7-8-15(4-2)17(12-14)18(25)13-27-21-23-22-20(19-6-5-11-26-19)24(21)16-9-10-16/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3