6-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 6-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 6-phenyl-3-(3-pyridylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 6-phenyl-3-(3-pyridinylmethylthio)-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 6-phenyl-3-(3-pyridylmethylthio)-[1,2,4]triazolo[4,3-b]pyridazine Formula: C17H13N5S MolecularWeight: 319.38362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=NN=C3SCC4=CN=CC=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=NN=C3SCC4=CN=CC=C4)C=C2

InChI

InChI=1S/C17H13N5S/c1-2-6-14(7-3-1)15-8-9-16-19-20-17(22(16)21-15)23-12-13-5-4-10-18-11-13/h1-11H,12H2