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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-15(28)16-11-12-21(20(14-16)27(29)30)32-23-25-24-22(17-7-6-10-19(13-17)31-2)26(23)18-8-4-3-5-9-18/h3-14H,1-2H3