3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1-benzothiophene-2-carbonitrile Openeye Name: 6-methylsulfonyl-3-(p-tolylsulfanyl)benzothiophene-2-carbonitrile CAS Name: 3-[(4-methylphenyl)thio]-6-methylsulfonyl-1-benzothiophene-2-carbonitrile IUPAC Name: 3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1-benzothiophene-2-carbonitrile Traditional Name: 6-mesyl-3-(p-tolylthio)benzothiophene-2-carbonitrile Formula: C17H13NO2S3 MolecularWeight: 359.48562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(SC3=C2C=CC(=C3)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(SC3=C2C=CC(=C3)S(=O)(=O)C)C#N

InChI

InChI=1S/C17H13NO2S3/c1-11-3-5-12(6-4-11)21-17-14-8-7-13(23(2,19)20)9-15(14)22-16(17)10-18/h3-9H,1-2H3