N-(4-methoxyphenyl)-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-3-4-18-24-21(26-25-18)30-13-19(27)22-15-7-5-14(6-8-15)20(28)23-16-9-11-17(29-2)12-10-16/h5-12H,3-4,13H2,1-2H3,(H,22,27)(H,23,28)(H,24,25,26)