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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])COC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4S/c28-21(17-8-7-11-19(14-17)27(29)30)16-32-23-25-24-22(15-31-20-12-5-2-6-13-20)26(23)18-9-3-1-4-10-18/h1-14H,15-16H2