N-(oxolan-2-ylmethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: N-(2-oxolanylmethyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-(tetrahydrofurfuryl)acetamide Formula: C25H29N5O4S2 MolecularWeight: 527.65886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCC5CCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCC5CCCO5

InChI

InChI=1S/C25H29N5O4S2/c31-23(26-17-21-11-7-15-34-21)18-35-25-28-27-24(30(25)20-9-2-1-3-10-20)19-8-6-12-22(16-19)36(32,33)29-13-4-5-14-29/h1-3,6,8-10,12,16,21H,4-5,7,11,13-15,17-18H2,(H,26,31)