4-(4-chlorophenyl)-2-methyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-(4-chlorophenyl)-2-methyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-(4-chlorophenyl)-2-methyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(4-chlorophenyl)-2-methyl-3-(methylthio)-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-(4-chlorophenyl)-2-methyl-3-methylsulfanyl-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-(4-chlorophenyl)-2-methyl-3-(methylthio)-1H-1,2,4-triazol-4-ium-5-one Formula: C10H11ClN3OS+ MolecularWeight: 256.73184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C(=O)N1)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CN1C(=[N+](C(=O)N1)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C10H10ClN3OS/c1-13-10(16-2)14(9(15)12-13)8-5-3-7(11)4-6-8/h3-6H,1-2H3/p+1