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

Systemtic Name: N-(3-ethanoylphenyl)-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(3-acetylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(3-acetylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3-acetylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(3-acetylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C20H19N5O3S/c1-13(26)15-4-3-5-17(10-15)23-19(28)14-6-8-16(9-7-14)22-18(27)11-29-20-24-21-12-25(20)2/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,28)