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

Systemtic Name: 6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C19H18N8S MolecularWeight: 390.46482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C19H18N8S/c1-12-7-9-13(10-8-12)16-24-19(27-26-16)28-11-15-22-17(20)25-18(23-15)21-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,24,26,27)(H3,20,21,22,23,25)