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

Systemtic Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H21N5O2S2/c1-15(22(30)25-18-11-9-17(10-12-18)20(24)29)32-23-27-26-21(19-8-5-13-31-19)28(23)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H2,24,29)(H,25,30)