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

Systemtic Name: 1-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]pyrrole-2,5-dione Openeye Name: 1-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]pyrrole-2,5-dione CAS Name: 1-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]pyrrole-2,5-dione IUPAC Name: 1-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]pyrrole-2,5-dione Traditional Name: 1-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-3-pyrroline-2,5-quinone Formula: C17H12ClN3O2S MolecularWeight: 357.81408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C=CC4=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C=CC4=O)C

InChI

InChI=1S/C17H12ClN3O2S/c1-9-11-7-10(18)3-4-13(11)24-17(9)12-8-14(20(2)19-12)21-15(22)5-6-16(21)23/h3-8H,1-2H3