N2-tert-butyl-N4-methyl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-tert-butyl-N4-methyl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N2-tert-butyl-N4-methyl-1,3,5-triazine-2,4-diamine CAS Name: N2-tert-butyl-N4-methyl-6-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-2-N-tert-butyl-4-N-methyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-(tert-butylamino)-s-triazin-2-yl]-methyl-amine Formula: C17H22N8S MolecularWeight: 370.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H22N8S/c1-17(2,3)23-14-20-13(18-4)21-15(22-14)25-11-19-16(24-25)26-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,18,20,21,22,23)