1-(4-bromanyl-1H-pyrazol-5-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-(4-bromanyl-1H-pyrazol-5-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(4-bromo-1H-pyrazol-5-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-(4-bromo-1H-pyrazol-5-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(4-bromo-1H-pyrazol-5-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(4-bromo-1H-pyrazol-5-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C14H15BrN2OS2 MolecularWeight: 371.3157

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=C(C=NN3)Br)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=C(C=NN3)Br)C

InChI

InChI=1S/C14H15BrN2OS2/c1-14(2)4-7-10(9(18)5-14)13(19-3)20-12(7)11-8(15)6-16-17-11/h6H,4-5H2,1-3H3,(H,16,17)