4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carbonitrile Openeye Name: 4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarbonitrile CAS Name: 4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carbonitrile Traditional Name: 4-(1,3-dithian-2-ylidene)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarbonitrile Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=C4SCCCS4)CC3)C#N)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=C4SCCCS4)CC3)C#N)OCCO2

InChI

InChI=1S/C20H23NO3S2/c1-22-16-4-3-15(17-18(16)24-10-9-23-17)20(13-21)7-5-14(6-8-20)19-25-11-2-12-26-19/h3-4H,2,5-12H2,1H3