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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine Formula: C19H13ClN2O4S MolecularWeight: 400.83552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C19H13ClN2O4S/c20-13-7-18-17(25-10-26-18)6-12(13)8-27-19-21-4-3-14(22-19)11-1-2-15-16(5-11)24-9-23-15/h1-7H,8-10H2