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

Systemtic Name: N-(4-tert-butylphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-tert-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-tert-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-tert-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(4-tert-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-22(2,3)16-7-11-18(12-8-16)25-20(29)15-5-9-17(10-6-15)24-19(28)13-30-21-26-23-14-27(21)4/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,29)