7-bromanyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-(p-tolylsulfanylmethyl)chromen-2-one CAS Name: 7-bromo-4-[[(4-methylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[(p-tolylthio)methyl]coumarin Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C17H13BrO2S/c1-11-2-5-14(6-3-11)21-10-12-8-17(19)20-16-9-13(18)4-7-15(12)16/h2-9H,10H2,1H3