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

Systemtic Name: N-(2-methoxyphenyl)-2-[4-methyl-5-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-methyl-5-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[4-methyl-5-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-methyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[5-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H22N6O5S/c1-13-10-14(27(30)31)8-9-15(13)22-20(29)12-33-21-25-24-18(26(21)2)11-19(28)23-16-6-4-5-7-17(16)32-3/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)