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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-22-20(28)16-10-7-11-17(13-16)23-19(27)14-29-21-25-24-18(26(21)2)12-15-8-5-4-6-9-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,28)(H,23,27)