4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexane-1-carbonitrile Openeye Name: 4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexanecarbonitrile CAS Name: 4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexane-1-carbonitrile Traditional Name: 4-(1,3-dithian-2-ylidene)-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexanecarbonitrile Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C=CC(=C2O1)OC)C3(CCC(=C4SCCCS4)CC3)C#N)C

Isomeric SMILES

CC1(OC2=C(C=CC(=C2O1)OC)C3(CCC(=C4SCCCS4)CC3)C#N)C

InChI

InChI=1S/C21H25NO3S2/c1-20(2)24-17-15(5-6-16(23-3)18(17)25-20)21(13-22)9-7-14(8-10-21)19-26-11-4-12-27-19/h5-6H,4,7-12H2,1-3H3