N-tert-butyl-4-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-tert-butyl-4-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-tert-butyl-4-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-tert-butyl-4-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-tert-butyl-4-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O3S/c1-22(2,3)25-20(29)15-5-7-16(8-6-15)24-19(28)13-31-21-26-23-14-27(21)17-9-11-18(30-4)12-10-17/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,29)