6-methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate

Systemtic Name: 6-methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate Openeye Name: 1-benzyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate CAS Name: 6-methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate IUPAC Name: 1-benzyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate Traditional Name: 1-benzyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C(=C1)[S-])N(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=N[N+]2=C(C(=C1)[S-])N(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4S/c1-10-7-12(18)13-16(14-9-17(13)15-10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3