8a-ethylsulfanyl-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene

Systemtic Name: 8a-ethylsulfanyl-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene Openeye Name: 8a-ethylsulfanyl-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene CAS Name: 8a-(ethylthio)-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-1-benzothiopyran IUPAC Name: 8a-ethylsulfanyl-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene Traditional Name: 8a-(ethylthio)-4-(4-methoxyphenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrothiochromene Formula: C24H28OS2 MolecularWeight: 396.60852

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Descriptors Computed from Structure

Canonical SMILES:

CCSC12CCCCC1C(C=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCSC12CCCCC1C(C=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28OS2/c1-3-26-24-16-8-7-11-22(24)21(18-12-14-20(25-2)15-13-18)17-23(27-24)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21-22H,3,7-8,11,16H2,1-2H3