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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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