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

Systemtic Name: 2-[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-26-18(13-12-15-8-4-3-5-9-15)24-25-21(26)29-14-19(27)23-17-11-7-6-10-16(17)20(22)28/h3-11H,2,12-14H2,1H3,(H2,22,28)(H,23,27)