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

Systemtic Name: 2-methoxy-N-[[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-methoxy-N-[[5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-methoxy-N-[[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-methoxy-N-[[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5S/c1-35-22-10-6-5-9-20(22)24(32)26-15-23-27-28-25(29(23)18-7-3-2-4-8-18)36-16-21(31)17-11-13-19(14-12-17)30(33)34/h2-14H,15-16H2,1H3,(H,26,32)