3-(2H-benzotriazol-5-ylsulfanyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 3-(2H-benzotriazol-5-ylsulfanyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 3-(2H-benzotriazol-5-ylsulfanyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 3-(2H-benzotriazol-5-ylthio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 3-(2H-benzotriazol-5-ylsulfanyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 3-(2H-benzotriazol-5-ylthio)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine Formula: C17H11N7S MolecularWeight: 345.38114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=NN=C3SC4=CC5=NNN=C5C=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=NN=C3SC4=CC5=NNN=C5C=C4)C=C2

InChI

InChI=1S/C17H11N7S/c1-2-4-11(5-3-1)13-8-9-16-20-21-17(24(16)22-13)25-12-6-7-14-15(10-12)19-23-18-14/h1-10H,(H,18,19,23)