(2E)-2-[(4-chlorophenyl)hydrazinylidene]-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2E)-2-[(4-chlorophenyl)hydrazinylidene]-3-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: (1E)-N-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxo-acetimidoyl cyanide CAS Name: (2E)-2-[(4-chlorophenyl)hydrazinylidene]-3-[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-3-oxopropanenitrile IUPAC Name: (1E)-N-(4-chloroanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)-2-oxoethanimidoyl cyanide Traditional Name: (2E)-2-[(4-chlorophenyl)hydrazono]-3-keto-3-[3-(methylthio)-6,7-dihydroisobenzothiophen-1-yl]propionitrile Formula: C18H14ClN3OS2 MolecularWeight: 387.90626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C=CCCC2=C(S1)C(=O)C(=NNC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CSC1=C2C=CCCC2=C(S1)C(=O)/C(=N/NC3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C18H14ClN3OS2/c1-24-18-14-5-3-2-4-13(14)17(25-18)16(23)15(10-20)22-21-12-8-6-11(19)7-9-12/h3,5-9,21H,2,4H2,1H3/b22-15+