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

Systemtic Name: N2-phenyl-6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H21N9S MolecularWeight: 419.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=NC=C4

InChI

InChI=1S/C20H21N9S/c1-2-12-29-17(14-8-10-22-11-9-14)27-28-20(29)30-13-16-24-18(21)26-19(25-16)23-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H3,21,23,24,25,26)