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

Systemtic Name: 5-[4-[4-(4-cyanophenoxy)butoxy]phenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-[4-[4-(4-cyanophenoxy)butoxy]phenyl]-3-methylsulfanyl-isothiazole-4-carbonitrile CAS Name: 5-[4-[4-(4-cyanophenoxy)butoxy]phenyl]-3-(methylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-[4-[4-(4-cyanophenoxy)butoxy]phenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-[4-[4-(4-cyanophenoxy)butoxy]phenyl]-3-(methylthio)isothiazole-4-carbonitrile Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S2/c1-28-22-20(15-24)21(29-25-22)17-6-10-19(11-7-17)27-13-3-2-12-26-18-8-4-16(14-23)5-9-18/h4-11H,2-3,12-13H2,1H3