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

Systemtic Name: 3-iodanyl-6-methyl-4-[(4-methylphenyl)methylsulfanyl]-1H-isothiochromene Openeye Name: 3-iodo-6-methyl-4-(p-tolylmethylsulfanyl)-1H-isothiochromene CAS Name: 3-iodo-6-methyl-4-[(4-methylphenyl)methylthio]-1H-2-benzothiopyran IUPAC Name: 3-iodo-6-methyl-4-[(4-methylphenyl)methylsulfanyl]-1H-isothiochromene Traditional Name: 3-iodo-6-methyl-4-[(4-methylbenzyl)thio]-1H-isothiochromene Formula: C18H17IS2 MolecularWeight: 424.36205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(SCC3=C2C=C(C=C3)C)I

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(SCC3=C2C=C(C=C3)C)I

InChI

InChI=1S/C18H17IS2/c1-12-3-6-14(7-4-12)10-20-17-16-9-13(2)5-8-15(16)11-21-18(17)19/h3-9H,10-11H2,1-2H3