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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-22(2,17-9-5-4-6-10-17)14-23-20(29)16-8-7-11-18(12-16)25-19(28)13-30-21-26-24-15-27(21)3/h4-12,15H,13-14H2,1-3H3,(H,23,29)(H,25,28)