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

Systemtic Name: 3-methylsulfanyl-5-[4-(3-phenylpropoxy)phenyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[4-(3-phenylpropoxy)phenyl]isothiazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[4-(3-phenylpropoxy)phenyl]-4-isothiazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-[4-(3-phenylpropoxy)phenyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-[4-(3-phenylpropoxy)phenyl]isothiazole-4-carbonitrile Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS2/c1-24-20-18(14-21)19(25-22-20)16-9-11-17(12-10-16)23-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3