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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide Formula: C16H13ClN6O3S MolecularWeight: 404.83082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NNC(=N3)N

InChI

InChI=1S/C16H13ClN6O3S/c17-11-7-6-10(8-12(11)23(25)26)19-14(24)13(9-4-2-1-3-5-9)27-16-20-15(18)21-22-16/h1-8,13H,(H,19,24)(H3,18,20,21,22)