4-ethyl-3-(oxan-2-ylmethylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(oxan-2-ylmethylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-oxanylmethylthio)-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(oxan-2-ylmethylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(3-pyrrolidinosulfonylphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCO2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCO2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H28N4O3S2/c1-2-24-19(21-22-20(24)28-15-17-9-3-6-13-27-17)16-8-7-10-18(14-16)29(25,26)23-11-4-5-12-23/h7-8,10,14,17H,2-6,9,11-13,15H2,1H3