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

Systemtic Name: N-(phenylmethyl)-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-benzyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-8-18-24-21(26-25-18)29-14-19(27)23-17-12-7-6-11-16(17)20(28)22-13-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,28)(H,23,27)(H,24,25,26)