1-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxidanyl-4-[tris(methylsulfanyl)methyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-oxidanyl-4-[tris(methylsulfanyl)methyl]cyclohexane-1-carbonitrile Openeye Name: 1-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-4-[tris(methylsulfanyl)methyl]cyclohexanecarbonitrile CAS Name: 1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxy-4-[tris(methylthio)methyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-4-hydroxy-4-[tris(methylsulfanyl)methyl]cyclohexane-1-carbonitrile Traditional Name: 1-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-hydroxy-4-[tris(methylthio)methyl]cyclohexanecarbonitrile Formula: C22H31NO3S3 MolecularWeight: 453.68144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(CCC(CC2)(C(SC)(SC)SC)O)C#N)OCC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)C2(CCC(CC2)(C(SC)(SC)SC)O)C#N)OCC3CC3

InChI

InChI=1S/C22H31NO3S3/c1-25-17-7-8-18(19(13-17)26-14-16-5-6-16)20(15-23)9-11-21(24,12-10-20)22(27-2,28-3)29-4/h7-8,13,16,24H,5-6,9-12,14H2,1-4H3