3-[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 3-[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 3-(3,5-diamino-6-chloro-pyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 3-(3,5-diamino-6-chloro-2-pyrazinyl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 3-(3,5-diamino-6-chloropyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 3-(3,5-diamino-6-chloro-pyrazin-2-yl)-2-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C13H13ClN7S+ MolecularWeight: 334.80722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C(=S)N1)C2=CC=CC=C2)C3=C(N=C(C(=N3)Cl)N)N

Isomeric SMILES

CN1C(=[N+](C(=S)N1)C2=CC=CC=C2)C3=C(N=C(C(=N3)Cl)N)N

InChI

InChI=1S/C13H12ClN7S/c1-20-12(8-10(15)18-11(16)9(14)17-8)21(13(22)19-20)7-5-3-2-4-6-7/h2-6H,1H3,(H4,15,16,18,19,22)/p+1