6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C13H14N8S MolecularWeight: 314.36886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=NC(=NN1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

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