2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(4-methoxyphenyl)pyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methoxyphenyl)pyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(4-methoxyphenyl)pyrimidine Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C19H15ClN2O3S/c1-23-14-4-2-12(3-5-14)16-6-7-21-19(22-16)26-10-13-8-17-18(9-15(13)20)25-11-24-17/h2-9H,10-11H2,1H3