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

Systemtic Name: 4-methoxy-N-[[4-methyl-5-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-methyl-5-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[4-methyl-5-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[4-methyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide 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)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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