2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 2-(5-chloro-3-methyl-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 2-(5-chloro-3-methyl-benzothiophen-2-yl)-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Formula: C16H13ClN3OS+ MolecularWeight: 330.81192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=C(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=C(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C16H12ClN3OS/c1-8-5-15(21)20-14(18-8)7-12(19-20)16-9(2)11-6-10(17)3-4-13(11)22-16/h3-7H,1-2H3,(H,18,19,21)/p+1