2-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine

Systemtic Name: 2-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine Openeye Name: 2-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine CAS Name: 2-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-4,6-bis(1-pyrrolidinyl)-1,3,5-triazine IUPAC Name: 2-[3-(2-phenoxyethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine Traditional Name: 2-[3-(2-phenoxyethylthio)-1,2,4-triazol-1-yl]-4,6-dipyrrolidino-s-triazine Formula: C21H26N8OS MolecularWeight: 438.54914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)N3C=NC(=N3)SCCOC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N3C=NC(=N3)SCCOC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C21H26N8OS/c1-2-8-17(9-3-1)30-14-15-31-21-22-16-29(26-21)20-24-18(27-10-4-5-11-27)23-19(25-20)28-12-6-7-13-28/h1-3,8-9,16H,4-7,10-15H2