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

Systemtic Name: N2-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-butyl-N4-ethyl-1,3,5-triazine-2,4-diamine CAS Name: N2-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-butyl-4-N-ethyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-(butylamino)-s-triazin-2-yl]-ethyl-amine Formula: C18H24N8S MolecularWeight: 384.50176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NCC)N2C=NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NCC)N2C=NC(=N2)SCC3=CC=CC=C3

InChI

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