N-propyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-propyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: N-propyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 2-[[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]amino]-N-propylbenzamide IUPAC Name: N-propyl-2-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: N-propyl-2-[[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]amino]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H21N5O2S/c1-2-11-21-19(27)16-5-3-4-6-17(16)24-18(26)15-9-7-14(8-10-15)12-28-20-22-13-23-25-20/h3-10,13H,2,11-12H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)