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

Systemtic Name: 6-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C15H18N8S MolecularWeight: 342.42202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H18N8S/c1-9(2)12-20-15(22-23(12)10-6-4-3-5-7-10)24-8-11-18-13(16)21-14(17)19-11/h3-7,9H,8H2,1-2H3,(H4,16,17,18,19,21)