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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19N3O2S2/c1-15(27-19-7-3-16(13-23)4-8-19)11-12-26-18-9-5-17(6-10-18)21-20(14-24)22(28-2)25-29-21/h3-10,15H,11-12H2,1-2H3