3-(3-methylsulfanylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(3-methylsulfanylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(3-methylsulfanylphenyl)-1-(4-thiazol-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-[3-(methylthio)phenyl]-1-[4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-methylsulfanylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-[3-(methylthio)phenyl]-1-(4-thiazol-2-ylpiperazino)prop-2-yn-1-one Formula: C17H17N3OS2 MolecularWeight: 343.46638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H17N3OS2/c1-22-15-4-2-3-14(13-15)5-6-16(21)19-8-10-20(11-9-19)17-18-7-12-23-17/h2-4,7,12-13H,8-11H2,1H3