2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methyl-pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-methylpyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methylpyrimidine Traditional Name: 4-chloro-6-(4-imidazol-1-ylphenoxy)-5-methyl-2-(piperonylthio)pyrimidine Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)SCC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)SCC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H17ClN4O3S/c1-14-20(23)25-22(31-11-15-2-7-18-19(10-15)29-13-28-18)26-21(14)30-17-5-3-16(4-6-17)27-9-8-24-12-27/h2-10,12H,11,13H2,1H3