2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-31-21-10-6-5-9-19(21)22-24-25-23(26(22)17-7-3-2-4-8-17)32-15-20(28)16-11-13-18(14-12-16)27(29)30/h2-14H,15H2,1H3