4-(4-chlorophenyl)-2-methyl-5-(4-oxidanidylpyrazin-4-ium-2-yl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-chlorophenyl)-2-methyl-5-(4-oxidanidylpyrazin-4-ium-2-yl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-methyl-5-(4-oxidopyrazin-4-ium-2-yl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-methyl-5-(4-oxido-2-pyrazin-4-iumyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-methyl-5-(4-oxidopyrazin-4-ium-2-yl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-methyl-5-(4-oxidopyrazin-4-ium-2-yl)-1,2,4-triazole-3-thione Formula: C13H10ClN5OS MolecularWeight: 319.7694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=NC=C[N+](=C2)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=NC=C[N+](=C2)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H10ClN5OS/c1-17-13(21)19(10-4-2-9(14)3-5-10)12(16-17)11-8-18(20)7-6-15-11/h2-8H,1H3