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

Systemtic Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-3-25-18(15-7-5-4-6-8-15)23-24-20(25)28-13(2)19(27)22-16-11-9-14(10-12-16)17(21)26/h4-13H,3H2,1-2H3,(H2,21,26)(H,22,27)