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

Systemtic Name: N-(2-ethylhexyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(2-ethylhexyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(2-ethylhexyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-ethylhexyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(2-ethylhexyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

InChI

InChI=1S/C20H29N5O2S/c1-4-6-8-15(5-2)12-21-19(27)16-9-7-10-17(11-16)23-18(26)13-28-20-24-22-14-25(20)3/h7,9-11,14-15H,4-6,8,12-13H2,1-3H3,(H,21,27)(H,23,26)