4-butyl-3-(4-methoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-butyl-3-(4-methoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-butyl-3-(4-methoxyphenyl)-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H28N4O4S2/c1-3-4-15-26-21(17-7-9-18(29-2)10-8-17)23-24-22(26)31-16-19-11-12-20(30-19)32(27,28)25-13-5-6-14-25/h7-12H,3-6,13-16H2,1-2H3