3-(3-azanylpyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 3-(3-azanylpyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 3-(3-aminopyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 3-(3-amino-2-pyrazinyl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 3-(3-aminopyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 3-(3-aminopyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C13H13N6S+ MolecularWeight: 285.34752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C(=S)N1)C2=CC=CC=C2)C3=NC=CN=C3N

Isomeric SMILES

CN1C(=[N+](C(=S)N1)C2=CC=CC=C2)C3=NC=CN=C3N

InChI

InChI=1S/C13H12N6S/c1-18-12(10-11(14)16-8-7-15-10)19(13(20)17-18)9-5-3-2-4-6-9/h2-8,14H,1H3,(H,17,20)/p+1