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

Systemtic Name: 4-[2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-p-phenetyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C23H21N5O3S2/c1-2-31-18-11-9-17(10-12-18)28-22(19-4-3-13-32-19)26-27-23(28)33-14-20(29)25-16-7-5-15(6-8-16)21(24)30/h3-13H,2,14H2,1H3,(H2,24,30)(H,25,29)