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

Systemtic Name: 2-[4-ethyl-5-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-ethyl-5-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-ethyl-5-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-ethyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[4-ethyl-5-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N6O4S/c1-3-26-18(12-19(28)22-15-7-5-4-6-8-15)24-25-21(26)32-13-20(29)23-16-10-9-14(2)17(11-16)27(30)31/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,29)