3-[(2-bromanyl-4-methyl-phenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 3-[(2-bromanyl-4-methyl-phenyl)sulfanylmethyl]chromen-2-one Openeye Name: 3-[(2-bromo-4-methyl-phenyl)sulfanylmethyl]chromen-2-one CAS Name: 3-[[(2-bromo-4-methylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 3-[(2-bromo-4-methylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 3-[[(2-bromo-4-methyl-phenyl)thio]methyl]coumarin Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC3=CC=CC=C3OC2=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC3=CC=CC=C3OC2=O)Br

InChI

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