N-(5-chloranyl-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O3S/c17-11-6-7-13(22(24)25)12(8-11)18-14(23)9-26-16-19-15(20-21-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,23)(H,19,20,21)