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

Systemtic Name: 2-methoxy-N-[1-[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide CAS Name: N-[2-hydroxy-1-[5-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]-2-methoxybenzamide Traditional Name: N-[2-hydroxy-1-[5-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide Formula: C27H25N5O6S MolecularWeight: 547.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C(CO)NC(=O)C4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O6S/c1-17-12-13-18(14-22(17)32(36)37)23(34)16-39-27-30-29-25(31(27)19-8-4-3-5-9-19)21(15-33)28-26(35)20-10-6-7-11-24(20)38-2/h3-14,21,33H,15-16H2,1-2H3,(H,28,35)