3-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)-N-phenyl-pyrazole-1-carboxamide

Systemtic Name: 3-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)-N-phenyl-pyrazole-1-carboxamide Openeye Name: 3-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)-N-phenyl-pyrazole-1-carboxamide CAS Name: 3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide IUPAC Name: 3-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)-N-phenylpyrazole-1-carboxamide Traditional Name: 3-[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-1-yl]-N-phenyl-pyrazole-1-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN(C=C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN(C=C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H21N3O2S2/c1-21(2)11-14-17(16(25)12-21)19(27-3)28-18(14)15-9-10-24(23-15)20(26)22-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,22,26)