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

Systemtic Name: N-ethyl-3-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethyl-benzamide CAS Name: N-ethyl-3-[[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-ethyl-benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-23-21(29)17-11-8-12-18(14-17)24-20(28)15-30-22-26-25-19(27(22)4-2)13-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,29)(H,24,28)