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

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C20H21N5O3S/c1-3-28-17-10-8-16(9-11-17)23-19(27)14-4-6-15(7-5-14)22-18(26)12-29-20-24-21-13-25(20)2/h4-11,13H,3,12H2,1-2H3,(H,22,26)(H,23,27)