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

Systemtic Name: N2-(4-methylphenyl)-6-[(2-nitrophenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-nitrophenyl)methylsulfanylmethyl]-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-[[(2-nitrophenyl)methylthio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-6-[(2-nitrophenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2-nitrobenzyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2S/c1-12-6-8-14(9-7-12)20-18-22-16(21-17(19)23-18)11-27-10-13-4-2-3-5-15(13)24(25)26/h2-9H,10-11H2,1H3,(H3,19,20,21,22,23)