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

Systemtic Name: 6-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C21H20N8S MolecularWeight: 416.5021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C21H20N8S/c22-19-24-17(25-20(27-19)23-15-7-3-1-4-8-15)13-30-21-26-18(14-11-12-14)29(28-21)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H3,22,23,24,25,27)