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

Systemtic Name: 3-iodanyl-6-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-1H-isothiochromene Openeye Name: 3-iodo-6-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-1H-isothiochromene CAS Name: 3-iodo-6-methoxy-4-[(4-methoxyphenyl)methylthio]-1H-2-benzothiopyran IUPAC Name: 3-iodo-6-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-1H-isothiochromene Traditional Name: 3-iodo-6-methoxy-4-(p-anisylthio)-1H-isothiochromene Formula: C18H17IO2S2 MolecularWeight: 456.36085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(SCC3=C2C=C(C=C3)OC)I

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(SCC3=C2C=C(C=C3)OC)I

InChI

InChI=1S/C18H17IO2S2/c1-20-14-6-3-12(4-7-14)10-22-17-16-9-15(21-2)8-5-13(16)11-23-18(17)19/h3-9H,10-11H2,1-2H3