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

Systemtic Name: 6-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]amine Formula: C14H16N8S MolecularWeight: 328.39544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H16N8S/c1-8-5-3-4-6-9(8)11-20-21-14(22(11)2)23-7-10-17-12(15)19-13(16)18-10/h3-6H,7H2,1-2H3,(H4,15,16,17,18,19)