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

Systemtic Name: 4-methoxy-N-[[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Traditional Name: N-[[3-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Formula: C20H20N6O5S MolecularWeight: 456.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N6O5S/c1-12-3-6-14(26(29)30)9-16(12)22-18(27)11-32-20-23-17(24-25-20)10-21-19(28)13-4-7-15(31-2)8-5-13/h3-9H,10-11H2,1-2H3,(H,21,28)(H,22,27)(H,23,24,25)