N-(2,3-dimethylphenyl)-2-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C19H20N6O2S/c1-12-4-3-5-15(13(12)2)22-16(26)10-21-17(27)11-28-19-23-18(24-25-19)14-6-8-20-9-7-14/h3-9H,10-11H2,1-2H3,(H,21,27)(H,22,26)(H,23,24,25)