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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O3S/c23-17-11-8-15(12-18(17)28(30)31)24-21(29)19(13-4-2-1-3-5-13)32-22-26-25-20(14-6-7-14)27(22)16-9-10-16/h1-5,8,11-12,14,16,19H,6-7,9-10H2,(H,24,29)