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

Systemtic Name: N-(4-chlorophenyl)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzamide Openeye Name: N-(4-chlorophenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide CAS Name: N-(4-chlorophenyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzamide IUPAC Name: N-(4-chlorophenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C17H14ClN5O2S/c18-11-5-7-12(8-6-11)21-16(25)13-3-1-2-4-14(13)22-15(24)9-26-17-19-10-20-23-17/h1-8,10H,9H2,(H,21,25)(H,22,24)(H,19,20,23)