N-(2-ethyl-6-methyl-phenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-[[2-[(4-methyl-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:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C)C

InChI

InChI=1S/C21H23N5O2S/c1-4-15-7-5-6-14(2)19(15)24-20(28)16-8-10-17(11-9-16)23-18(27)12-29-21-25-22-13-26(21)3/h5-11,13H,4,12H2,1-3H3,(H,23,27)(H,24,28)