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

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-pentylphenyl)benzamide Openeye Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-pentylphenyl)benzamide CAS Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-(4-pentylphenyl)benzamide IUPAC Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-pentylphenyl)benzamide Traditional Name: N-(4-amylphenyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C23H27N5O2S/c1-3-4-5-7-17-10-12-19(13-11-17)26-22(30)18-8-6-9-20(14-18)25-21(29)15-31-23-27-24-16-28(23)2/h6,8-14,16H,3-5,7,15H2,1-2H3,(H,25,29)(H,26,30)