2-(4-oxidanylidene-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)ethanenitrile Openeye Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetonitrile CAS Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetonitrile IUPAC Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetonitrile Traditional Name: 2-(4-keto-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetonitrile Formula: C13H15NOS2 MolecularWeight: 265.3943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)SCCC(C2=O)CC#N

Isomeric SMILES

CCCC1=CC2=C(S1)SCCC(C2=O)CC#N

InChI

InChI=1S/C13H15NOS2/c1-2-3-10-8-11-12(15)9(4-6-14)5-7-16-13(11)17-10/h8-9H,2-5,7H2,1H3