6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C18H17N9S MolecularWeight: 391.45288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=NC=C4

InChI

InChI=1S/C18H17N9S/c1-27-15(12-7-9-20-10-8-12)25-26-18(27)28-11-14-22-16(19)24-17(23-14)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,19,21,22,23,24)