4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol Openeye Name: 4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol CAS Name: 4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-1-benzothiopyran-8a-thiol IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol Traditional Name: 4-(3,4-dimethoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol Formula: C23H26O2S2 MolecularWeight: 398.58134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(SC3(C2CCCC3)S)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(SC3(C2CCCC3)S)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H26O2S2/c1-24-20-12-11-17(14-21(20)25-2)18-15-22(16-8-4-3-5-9-16)27-23(26)13-7-6-10-19(18)23/h3-5,8-9,11-12,14-15,18-19,26H,6-7,10,13H2,1-2H3