6-methylsulfonyl-3-phenylsulfanyl-1-benzothiophene-2-carbonitrile

Systemtic Name: 6-methylsulfonyl-3-phenylsulfanyl-1-benzothiophene-2-carbonitrile Openeye Name: 6-methylsulfonyl-3-phenylsulfanyl-benzothiophene-2-carbonitrile CAS Name: 6-methylsulfonyl-3-(phenylthio)-1-benzothiophene-2-carbonitrile IUPAC Name: 6-methylsulfonyl-3-phenylsulfanyl-1-benzothiophene-2-carbonitrile Traditional Name: 6-mesyl-3-(phenylthio)benzothiophene-2-carbonitrile Formula: C16H11NO2S3 MolecularWeight: 345.45904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C(=C(S2)C#N)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C(=C(S2)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C16H11NO2S3/c1-22(18,19)12-7-8-13-14(9-12)21-15(10-17)16(13)20-11-5-3-2-4-6-11/h2-9H,1H3