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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-ethyl-5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-ethyl-5-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-ethyl-5-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-ethyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-ethyl-5-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-1,2,4-triazol-3-yl]acetamide Formula: C22H23ClN6O4S MolecularWeight: 502.97382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O4S/c1-4-28-19(11-20(30)24-15-7-5-13(2)17(23)9-15)26-27-22(28)34-12-21(31)25-18-10-16(29(32)33)8-6-14(18)3/h5-10H,4,11-12H2,1-3H3,(H,24,30)(H,25,31)