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

Systemtic Name: N2-(4-methylphenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-nitrophenyl)sulfanylmethyl]-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-[[(4-nitrophenyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-6-[(4-nitrophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-nitrophenyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O2S/c1-11-2-4-12(5-3-11)19-17-21-15(20-16(18)22-17)10-26-14-8-6-13(7-9-14)23(24)25/h2-9H,10H2,1H3,(H3,18,19,20,21,22)