2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-imidazo[4,5-d]pyridazine Openeye Name: 2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-imidazo[4,5-d]pyridazine CAS Name: 2-[2-methoxy-5-(methylthio)phenyl]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 2-(2-methoxy-5-methylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine Traditional Name: 2-[2-methoxy-5-(methylthio)phenyl]-1H-imidazo[4,5-d]pyridazine Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=NC3=CN=NC=C3N2

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=NC3=CN=NC=C3N2

InChI

InChI=1S/C13H12N4OS/c1-18-12-4-3-8(19-2)5-9(12)13-16-10-6-14-15-7-11(10)17-13/h3-7H,1-2H3,(H,16,17)