3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-thiazole-4-carbonitrile Openeye Name: 5-(4-benzyloxyphenyl)-3-methylsulfanyl-isothiazole-4-carbonitrile CAS Name: 3-(methylthio)-5-(4-phenylmethoxyphenyl)-4-isothiazolecarbonitrile IUPAC Name: 3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-thiazole-4-carbonitrile Traditional Name: 5-(4-benzoxyphenyl)-3-(methylthio)isothiazole-4-carbonitrile Formula: C18H14N2OS2 MolecularWeight: 338.44656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NSC(=C1C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H14N2OS2/c1-22-18-16(11-19)17(23-20-18)14-7-9-15(10-8-14)21-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3