6-(phenylmethylsulfanyl)-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 6-(phenylmethylsulfanyl)-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 6-benzylsulfanyl-3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 6-(phenylmethylthio)-3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-benzylsulfanyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 6-(benzylthio)-3-(3-pyridyl)-[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)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2

InChI

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