3-iodanyl-4-[(4-methoxyphenyl)methylsulfanyl]-6-[(3-methylphenyl)methoxy]-1H-isothiochromene

Systemtic Name: 3-iodanyl-4-[(4-methoxyphenyl)methylsulfanyl]-6-[(3-methylphenyl)methoxy]-1H-isothiochromene Openeye Name: 3-iodo-4-[(4-methoxyphenyl)methylsulfanyl]-6-(m-tolylmethoxy)-1H-isothiochromene CAS Name: 3-iodo-4-[(4-methoxyphenyl)methylthio]-6-[(3-methylphenyl)methoxy]-1H-2-benzothiopyran IUPAC Name: 3-iodo-4-[(4-methoxyphenyl)methylsulfanyl]-6-[(3-methylphenyl)methoxy]-1H-isothiochromene Traditional Name: 3-iodo-6-(3-methylbenzyl)oxy-4-(p-anisylthio)-1H-isothiochromene Formula: C25H23IO2S2 MolecularWeight: 546.48339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC3=C(CSC(=C3SCC4=CC=C(C=C4)OC)I)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC3=C(CSC(=C3SCC4=CC=C(C=C4)OC)I)C=C2

InChI

InChI=1S/C25H23IO2S2/c1-17-4-3-5-19(12-17)14-28-22-11-8-20-16-30-25(26)24(23(20)13-22)29-15-18-6-9-21(27-2)10-7-18/h3-13H,14-16H2,1-2H3