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

Systemtic Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C16H20N8S MolecularWeight: 356.4486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H20N8S/c1-16(2,3)12-21-15(24-23-12)25-9-11-19-13(17)22-14(20-11)18-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,21,23,24)(H3,17,18,19,20,22)