6-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C20H16ClN5OS2 MolecularWeight: 441.95694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5OS2/c1-28-19-22-15(11-17(27)23-19)12-29-20-25-24-18(13-5-3-2-4-6-13)26(20)16-9-7-14(21)8-10-16/h2-11H,12H2,1H3,(H,22,23,27)