6-bromanyl-4-phenylsulfanyl-3-propyl-chromen-2-one

Systemtic Name: 6-bromanyl-4-phenylsulfanyl-3-propyl-chromen-2-one Openeye Name: 6-bromo-4-phenylsulfanyl-3-propyl-chromen-2-one CAS Name: 6-bromo-4-(phenylthio)-3-propyl-1-benzopyran-2-one IUPAC Name: 6-bromo-4-phenylsulfanyl-3-propylchromen-2-one Traditional Name: 6-bromo-4-(phenylthio)-3-propyl-coumarin Formula: C18H15BrO2S MolecularWeight: 375.2795

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)Br)OC1=O)SC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)Br)OC1=O)SC3=CC=CC=C3

InChI

InChI=1S/C18H15BrO2S/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)21-18(14)20/h3-5,7-11H,2,6H2,1H3