[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4S/c1-19-27(36-25-17-8-7-16-24(25)31(33)34)28(30(29-19)22-13-3-2-4-14-22)35-26(32)18-21-12-9-11-20-10-5-6-15-23(20)21/h2-17H,18H2,1H3