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

Systemtic Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2OS/c1-13(2)5-8-9(11(16)6-13)7-17-12(8)10-3-4-14-15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)