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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C(C)C

InChI

InChI=1S/C22H25N5O3S/c1-4-30-16-11-9-15(10-12-16)23-21(29)17-7-5-6-8-18(17)24-19(28)13-31-22-25-20(14(2)3)26-27-22/h5-12,14H,4,13H2,1-3H3,(H,23,29)(H,24,28)(H,25,26,27)