6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C13H14N8S MolecularWeight: 314.36886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=NC(=N2)N)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=NC(=N2)N)N)C3=CC=CC=C3

InChI

InChI=1S/C13H14N8S/c1-21-10(8-5-3-2-4-6-8)19-20-13(21)22-7-9-16-11(14)18-12(15)17-9/h2-6H,7H2,1H3,(H4,14,15,16,17,18)