4-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H24N6O2S/c23-21(30)16-8-10-17(11-9-16)24-20(29)15-31-22-26-25-19(14-27-12-4-5-13-27)28(22)18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-15H2,(H2,23,30)(H,24,29)