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

Systemtic Name: 5-[3,5-bis(azanyl)-6-chloranyl-pyrazin-2-yl]-2-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(3,5-diamino-6-chloro-pyrazin-2-yl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(3,5-diamino-6-chloro-2-pyrazinyl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3,5-diamino-6-chloropyrazin-2-yl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(3,5-diamino-6-chloro-pyrazin-2-yl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C13H12ClN7S MolecularWeight: 333.79928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=C(N=C(C(=N2)Cl)N)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=C(N=C(C(=N2)Cl)N)N)C3=CC=CC=C3

InChI

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