4-(4-chlorophenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-chlorophenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[(2-pyrimidinylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-[(2-pyrimidylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C13H10ClN5S2 MolecularWeight: 335.835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCC2=NNC(=S)N2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H10ClN5S2/c14-9-2-4-10(5-3-9)19-11(17-18-13(19)20)8-21-12-15-6-1-7-16-12/h1-7H,8H2,(H,18,20)