(6S)-4-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile

Systemtic Name: (6S)-4-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Openeye Name: (6S)-3-benzylsulfanyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile CAS Name: (6S)-4-oxo-6-phenyl-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile IUPAC Name: (6S)-3-benzylsulfanyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile Traditional Name: (6S)-3-(benzylthio)-4-keto-6-phenyl-6,7-dihydro-5H-isobenzothiophene-1-carbonitrile Formula: C22H17NOS2 MolecularWeight: 375.50648

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C(SC(=C21)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CC(=O)C2=C(SC(=C21)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17NOS2/c23-13-20-18-11-17(16-9-5-2-6-10-16)12-19(24)21(18)22(26-20)25-14-15-7-3-1-4-8-15/h1-10,17H,11-12,14H2/t17-/m0/s1