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

Systemtic Name: N-(3-methylphenyl)-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(m-tolyl)-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-2-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(m-tolyl)-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S2/c1-14-6-4-7-15(12-14)23-21(29)16-8-2-3-9-17(16)24-19(28)13-31-22-25-20(26-27-22)18-10-5-11-30-18/h2-12H,13H2,1H3,(H,23,29)(H,24,28)(H,25,26,27)