1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-naphthalen-1-yloxy-ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-naphthalen-1-yloxy-ethanone Openeye Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(1-naphthyloxy)ethanone CAS Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-2-(1-naphthalenyloxy)ethanone IUPAC Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-2-naphthalen-1-yloxyethanone Traditional Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-2-(1-naphthoxy)ethanone Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=CC3=CC=CC=C32)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC3=CC=CC=C32)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4S/c1-15-23(31-21-13-6-5-11-19(21)26(28)29)16(2)25(24-15)22(27)14-30-20-12-7-9-17-8-3-4-10-18(17)20/h3-13H,14H2,1-2H3