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

Systemtic Name: 4-methoxy-N-[2-[4-methyl-5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 4-methoxy-N-[2-[4-methyl-5-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-methoxy-N-[2-[4-methyl-5-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[5-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide Formula: C22H24N6O5S MolecularWeight: 484.52816

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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)CCNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O5S/c1-14-4-7-16(28(31)32)12-18(14)24-20(29)13-34-22-26-25-19(27(22)2)10-11-23-21(30)15-5-8-17(33-3)9-6-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,30)(H,24,29)