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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4CC4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C21H20ClN5O3S/c1-2-26-19(14-8-9-14)24-25-21(26)31-18(13-6-4-3-5-7-13)20(28)23-15-10-11-16(22)17(12-15)27(29)30/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,23,28)