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

Systemtic Name: N2-(4-methylphenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(p-tolyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-[[[4-(1-pyrazolyl)phenyl]methylthio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-6-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(4-pyrazol-1-ylbenzyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C21H21N7S MolecularWeight: 403.50334

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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)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21N7S/c1-15-3-7-17(8-4-15)24-21-26-19(25-20(22)27-21)14-29-13-16-5-9-18(10-6-16)28-12-2-11-23-28/h2-12H,13-14H2,1H3,(H3,22,24,25,26,27)