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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(N=C1Cl)OC2=CC=C(C=C2)N3C=CN=C3)SCC4=CC5=C(C=C4)OCO5

InChI

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