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2-(1,3-dithiepan-2-ylidene)-2-(phenylsulfonyl)ethanenitrile

2-(1,3-dithiepan-2-ylidene)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name:2-(1,3-dithiepan-2-ylidene)-2-(phenylsulfonyl)ethanenitrile
Openeye Name:2-(benzenesulfonyl)-2-(1,3-dithiepan-2-ylidene)acetonitrile
CAS Name:2-(benzenesulfonyl)-2-(1,3-dithiepan-2-ylidene)acetonitrile
IUPAC Name:2-(benzenesulfonyl)-2-(1,3-dithiepan-2-ylidene)acetonitrile
Traditional Name:2-besyl-2-(1,3-dithiepan-2-ylidene)acetonitrile
Formula: C13H13NO2S3
MolecularWeight: 311.44282
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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SC1


Isomeric SMILES

C1CCSC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SC1


InChI

InChI=1S/C13H13NO2S3/c14-10-12(13-17-8-4-5-9-18-13)19(15,16)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2


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