2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]isoindole-1,3-dione IUPAC Name: 2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]isoindoline-1,3-quinone Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C21H14ClN3O2S/c1-11-15-9-12(22)7-8-17(15)28-19(11)16-10-18(24(2)23-16)25-20(26)13-5-3-4-6-14(13)21(25)27/h3-10H,1-2H3