N,N-diethyl-3-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C26H33N5O3S2 MolecularWeight: 527.70192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C26H33N5O3S2/c1-3-30(4-2)36(33,34)23-14-10-13-22(19-23)25-27-28-26(35-20-24(32)29-16-8-9-17-29)31(25)18-15-21-11-6-5-7-12-21/h5-7,10-14,19H,3-4,8-9,15-18,20H2,1-2H3