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

Systemtic Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H25N5O2S2/c1-17(24(32)27-20-11-9-19(10-12-20)23(26)31)34-25-29-28-22(16-21-8-5-15-33-21)30(25)14-13-18-6-3-2-4-7-18/h2-12,15,17H,13-14,16H2,1H3,(H2,26,31)(H,27,32)