4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4-bromophenyl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C20H19BrO2S MolecularWeight: 403.33266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=C(C=C3)Br)C(C)C

InChI

InChI=1S/C20H19BrO2S/c1-12(2)17-10-18-14(9-20(22)23-19(18)8-13(17)3)11-24-16-6-4-15(21)5-7-16/h4-10,12H,11H2,1-3H3