N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide

Systemtic Name: N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide Openeye Name: N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide CAS Name: N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-piperazinecarbothioamide IUPAC Name: N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide Traditional Name: N-phenyl-4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN3C(=NN=C3C4=CC=CC=C4)C=C2)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C22H21N7S/c30-22(23-18-9-5-2-6-10-18)28-15-13-27(14-16-28)20-12-11-19-24-25-21(29(19)26-20)17-7-3-1-4-8-17/h1-12H,13-16H2,(H,23,30)