7-(1,3-benzodioxol-5-yl)-2-methyl-4-phenethylsulfanyl-[1,3]thiazolo[4,5-d]pyridazine

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-phenethylsulfanyl-[1,3]thiazolo[4,5-d]pyridazine Openeye Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-phenethylsulfanyl-thiazolo[4,5-d]pyridazine CAS Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-(phenethylthio)thiazolo[4,5-d]pyridazine IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-phenethylsulfanyl-[1,3]thiazolo[4,5-d]pyridazine Traditional Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-(phenethylthio)thiazolo[4,5-d]pyridazine Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C(=NN=C2SCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(S1)C(=NN=C2SCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O2S2/c1-13-22-19-20(28-13)18(15-7-8-16-17(11-15)26-12-25-16)23-24-21(19)27-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3