N-(3,5-dimethylphenyl)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3)C

InChI

InChI=1S/C19H19N5O2S/c1-12-7-13(2)9-16(8-12)23-18(26)14-3-5-15(6-4-14)22-17(25)10-27-19-20-11-21-24-19/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,26)(H,20,21,24)