6-(4-methylphenyl)-3-methylsulfonyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-3-methylsulfonyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Openeye Name: 3-methylsulfonyl-4-oxo-6-(p-tolyl)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile CAS Name: 6-(4-methylphenyl)-3-methylsulfonyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile IUPAC Name: 6-(4-methylphenyl)-3-methylsulfonyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-3-mesyl-6-(p-tolyl)-6,7-dihydro-5H-isobenzothiophene-1-carbonitrile Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(SC(=C3C(=O)C2)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3=C(SC(=C3C(=O)C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C17H15NO3S2/c1-10-3-5-11(6-4-10)12-7-13-15(9-18)22-17(23(2,20)21)16(13)14(19)8-12/h3-6,12H,7-8H2,1-2H3