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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanylmethyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-chlorophenyl)methylsulfanylmethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4-chlorophenyl)methylthio]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-chlorophenyl)methylsulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-chlorobenzyl)thio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C18H18ClN5S MolecularWeight: 371.88702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5S/c1-12-4-2-3-5-15(12)21-18-23-16(22-17(20)24-18)11-25-10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H3,20,21,22,23,24)