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

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H19N5O3S2 MolecularWeight: 465.54796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H19N5O3S2/c1-30-17-10-8-16(9-11-17)24-21(29)14-4-6-15(7-5-14)23-19(28)13-32-22-25-20(26-27-22)18-3-2-12-31-18/h2-12H,13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27)