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

Systemtic Name: 2-[4-ethyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-ethyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-ethyl-5-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-ethyl-5-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[4-ethyl-5-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O5S/c1-3-25-19(12-20(28)22-15-7-5-4-6-8-15)23-24-21(25)32-13-17(27)14-9-10-18(31-2)16(11-14)26(29)30/h4-11H,3,12-13H2,1-2H3,(H,22,28)