6-[(4-fluorophenyl)methylsulfanylmethyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-fluorophenyl)methylsulfanylmethyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-fluorophenyl)methylsulfanylmethyl]-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4-fluorophenyl)methylthio]methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-fluorophenyl)methylsulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-fluorobenzyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C18H18FN5S MolecularWeight: 355.432423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5S/c1-12-2-8-15(9-3-12)21-18-23-16(22-17(20)24-18)11-25-10-13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H3,20,21,22,23,24)