7-bromanyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one Openeye Name: 4-(benzylsulfanylmethyl)-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[(phenylmethylthio)methyl]-1-benzopyran-2-one IUPAC Name: 4-(benzylsulfanylmethyl)-7-bromochromen-2-one Traditional Name: 4-[(benzylthio)methyl]-7-bromo-coumarin Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C17H13BrO2S/c18-14-6-7-15-13(8-17(19)20-16(15)9-14)11-21-10-12-4-2-1-3-5-12/h1-9H,10-11H2