3-[(4-chlorophenyl)methylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3-[(4-chlorophenyl)methylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-[(4-chlorobenzyl)thio]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C18H16ClNOS2 MolecularWeight: 361.90874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=C(C=C3)Cl)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=C(C=C3)Cl)C#N)C

InChI

InChI=1S/C18H16ClNOS2/c1-18(2)7-13-15(9-20)23-17(16(13)14(21)8-18)22-10-11-3-5-12(19)6-4-11/h3-6H,7-8,10H2,1-2H3