3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine Formula: C15H15ClN4O2S2 MolecularWeight: 382.8882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C15H15ClN4O2S2/c1-10-9-11(2)20-14(17-10)18-19-15(20)23-7-8-24(21,22)13-5-3-12(16)4-6-13/h3-6,9H,7-8H2,1-2H3