2-(1,3-dithiepan-2-ylidene)-3-(2-methylfuran-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-dithiepan-2-ylidene)-3-(2-methylfuran-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-dithiepan-2-ylidene)-3-(2-methyl-3-furyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-dithiepan-2-ylidene)-3-(2-methyl-3-furanyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-dithiepan-2-ylidene)-3-(2-methylfuran-3-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-dithiepan-2-ylidene)-3-keto-3-(2-methyl-3-furyl)propionitrile Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=C2SCCCCS2)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)C(=C2SCCCCS2)C#N

InChI

InChI=1S/C13H13NO2S2/c1-9-10(4-5-16-9)12(15)11(8-14)13-17-6-2-3-7-18-13/h4-5H,2-3,6-7H2,1H3