4-(phenylmethylsulfanyl)-2H-[1,2,3]triazolo[4,5-d]pyridazine

Systemtic Name: 4-(phenylmethylsulfanyl)-2H-[1,2,3]triazolo[4,5-d]pyridazine Openeye Name: 4-benzylsulfanyl-2H-triazolo[4,5-d]pyridazine CAS Name: 4-(phenylmethylthio)-2H-triazolo[4,5-d]pyridazine IUPAC Name: 4-benzylsulfanyl-2H-triazolo[4,5-d]pyridazine Traditional Name: 4-(benzylthio)-2H-triazolo[4,5-d]pyridazine Formula: C11H9N5S MolecularWeight: 243.28766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CC3=NNN=C32

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CC3=NNN=C32

InChI

InChI=1S/C11H9N5S/c1-2-4-8(5-3-1)7-17-11-10-9(6-12-15-11)13-16-14-10/h1-6H,7H2,(H,13,14,16)