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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-chloro-4-nitro-phenyl)-2-phenyl-acetamide Formula: C21H16ClN7O3S MolecularWeight: 481.91484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C21H16ClN7O3S/c22-16-11-15(29(31)32)8-9-17(16)25-20(30)18(13-5-2-1-3-6-13)33-21-27-26-19(28(21)23)14-7-4-10-24-12-14/h1-12,18H,23H2,(H,25,30)