[2-[6-(dimethylamino)hexylsulfanyl]-4-propan-2-ylsulfanyl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-[6-(dimethylamino)hexylsulfanyl]-4-propan-2-ylsulfanyl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-(dimethylamino)hexylsulfanyl]-4-isopropylsulfanyl-3-pyridyl]-(2-thienyl)methanone CAS Name: [2-[6-(dimethylamino)hexylthio]-4-(propan-2-ylthio)-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[6-(dimethylamino)hexylsulfanyl]-4-propan-2-ylsulfanylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[6-(dimethylamino)hexylthio]-4-(isopropylthio)-3-pyridyl]-(2-thienyl)methanone Formula: C21H30N2OS3 MolecularWeight: 422.6707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=NC=C1)SCCCCCCN(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)SC1=C(C(=NC=C1)SCCCCCCN(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C21H30N2OS3/c1-16(2)27-17-11-12-22-21(19(17)20(24)18-10-9-15-25-18)26-14-8-6-5-7-13-23(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3