4-[2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C28H29N5O2S MolecularWeight: 499.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H29N5O2S/c1-3-4-5-20-8-16-24(17-9-20)33-27(22-10-6-19(2)7-11-22)31-32-28(33)36-18-25(34)30-23-14-12-21(13-15-23)26(29)35/h6-17H,3-5,18H2,1-2H3,(H2,29,35)(H,30,34)