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

Systemtic Name: N2-tert-butyl-N4-ethyl-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-ethyl-1,3,5-triazine-2,4-diamine CAS Name: N2-tert-butyl-N4-ethyl-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-ethyl-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]-ethyl-amine Formula: C18H24N8S MolecularWeight: 384.50176

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)N2C=NC(=N2)SCC3=CC=CC=C3)NC(C)(C)C

Isomeric SMILES

CCNC1=NC(=NC(=N1)N2C=NC(=N2)SCC3=CC=CC=C3)NC(C)(C)C

InChI

InChI=1S/C18H24N8S/c1-5-19-14-21-15(24-18(2,3)4)23-16(22-14)26-12-20-17(25-26)27-11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H2,19,21,22,23,24)