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

Systemtic Name: N-[4-[[5,5-dimethyl-7-oxidanylidene-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]phenyl]ethanamide Openeye Name: N-[4-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]thio]phenyl]acetamide IUPAC Name: N-[4-[[5,5-dimethyl-7-oxo-3-(1H-pyrazol-5-yl)-4,6-dihydro-2-benzothiophen-1-yl]sulfanyl]phenyl]acetamide Traditional Name: N-[4-[[7-keto-5,5-dimethyl-3-(1H-pyrazol-5-yl)-4,6-dihydroisobenzothiophen-1-yl]thio]phenyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C3C(=C(S2)C4=CC=NN4)CC(CC3=O)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C3C(=C(S2)C4=CC=NN4)CC(CC3=O)(C)C

InChI

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