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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)OC

InChI

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