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

Systemtic Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]isothiazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[4-(4-phenoxybutoxy)phenyl]-4-isothiazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-[4-(4-phenoxybutoxy)phenyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-[4-(4-phenoxybutoxy)phenyl]isothiazole-4-carbonitrile Formula: C21H20N2O2S2 MolecularWeight: 396.5257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

Isomeric SMILES

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCCOC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S2/c1-26-21-19(15-22)20(27-23-21)16-9-11-18(12-10-16)25-14-6-5-13-24-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3