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

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-bromophenyl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-7-methoxy-coumarin Formula: C17H13BrO3S MolecularWeight: 377.25232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrO3S/c1-20-13-4-7-15-11(8-17(19)21-16(15)9-13)10-22-14-5-2-12(18)3-6-14/h2-9H,10H2,1H3