N-methyl-4-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: N-methyl-4-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Openeye Name: N-methyl-4-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine CAS Name: N-methyl-4-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine IUPAC Name: N-methyl-4-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Traditional Name: methyl-[4-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-6-pyrrolidino-s-triazin-2-yl]amine Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCCOC4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCCOC4=CC=CC=C4

InChI

InChI=1S/C18H22N8OS/c1-19-15-21-16(25-9-5-6-10-25)23-17(22-15)26-13-20-18(24-26)28-12-11-27-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,19,21,22,23)