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

Systemtic Name: N-cyclopropyl-3-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-3-[[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-2-28-20(13-16-7-4-3-5-8-16)26-27-23(28)31-15-21(29)24-19-10-6-9-17(14-19)22(30)25-18-11-12-18/h3-10,14,18H,2,11-13,15H2,1H3,(H,24,29)(H,25,30)