3-methylsulfanyl-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]isothiazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]-4-isothiazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-[4-[4-(4-nitrophenoxy)butoxy]phenyl]isothiazole-4-carbonitrile Formula: C21H19N3O4S2 MolecularWeight: 441.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S2/c1-29-21-19(14-22)20(30-23-21)15-4-8-17(9-5-15)27-12-2-3-13-28-18-10-6-16(7-11-18)24(25)26/h4-11H,2-3,12-13H2,1H3