2-chloranyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-chloranyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-chloro-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C17H12ClN4O3S- MolecularWeight: 387.82018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c18-13-7-6-11(8-12(13)16(24)25)19-14(23)9-26-17-20-15(21-22-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,24,25)(H,20,21,22)/p-1