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

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

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C22H25N5O2S/c1-3-4-5-16-6-10-19(11-7-16)25-21(29)17-8-12-18(13-9-17)24-20(28)14-30-22-26-23-15-27(22)2/h6-13,15H,3-5,14H2,1-2H3,(H,24,28)(H,25,29)