4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4-bromophenyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-7-methyl-coumarin Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)Br

InChI

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