4-(7-methyl-3-oxidanylidene-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbothioamide

Systemtic Name: 4-(7-methyl-3-oxidanylidene-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbothioamide Openeye Name: 4-(7-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbothioamide CAS Name: 4-(7-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbothioamide IUPAC Name: 4-(7-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbothioamide Traditional Name: 4-(3-keto-7-methyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thiobenzamide Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NNC(=O)N2N=C1C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC1=CC2=NNC(=O)N2N=C1C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C13H11N5OS/c1-7-6-10-15-16-13(19)18(10)17-11(7)8-2-4-9(5-3-8)12(14)20/h2-6H,1H3,(H2,14,20)(H,16,19)