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

Systemtic Name: 4-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C23H26N6O2S/c1-16(22(31)25-18-11-9-17(10-12-18)21(24)30)32-23-27-26-20(15-28-13-5-6-14-28)29(23)19-7-3-2-4-8-19/h2-4,7-12,16H,5-6,13-15H2,1H3,(H2,24,30)(H,25,31)