3-(4-oxidanidylpyrazin-4-ium-2-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-oxidanidylpyrazin-4-ium-2-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(4-oxidopyrazin-4-ium-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-oxido-2-pyrazin-4-iumyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4-oxidopyrazin-4-ium-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(4-oxidopyrazin-4-ium-2-yl)-1H-1,2,4-triazole-5-thione Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=NC=C[N+](=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=NC=C[N+](=C3)[O-]

InChI

InChI=1S/C13H11N5OS/c19-17-7-6-14-11(9-17)12-15-16-13(20)18(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,20)