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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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