4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-chlorophenyl)-4-(piperonylthio)thieno[2,3-d]pyrimidine Formula: C20H13ClN2O2S2 MolecularWeight: 412.91242

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H13ClN2O2S2/c21-14-4-2-13(3-5-14)15-9-27-20-18(15)19(22-10-23-20)26-8-12-1-6-16-17(7-12)25-11-24-16/h1-7,9-10H,8,11H2