4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-methyl-3-pyrazolin-3-one Formula: C11H11N4OS+ MolecularWeight: 247.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)SC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C(=O)NN1)SC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C11H10N4OS/c1-6-9(10(16)15-14-6)17-11-12-7-4-2-3-5-8(7)13-11/h2-5H,1H3,(H,12,13)(H2,14,15,16)/p+1