2-[[5,5-dimethyl-7-oxidanylidene-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[5,5-dimethyl-7-oxidanylidene-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[7-keto-5,5-dimethyl-3-(1H-pyrazol-5-yl)-4,6-dihydroisobenzothiophen-1-yl]thio]-N-methyl-acetamide Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S2/c1-16(2)6-9-13(11(20)7-16)15(22-8-12(21)17-3)23-14(9)10-4-5-18-19-10/h4-5H,6-8H2,1-3H3,(H,17,21)(H,18,19)