N2-(4-methylphenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=NN3

InChI

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