[4-acetyloxy-6-[3-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)carbothioylsulfanyl]propyl]naphthalen-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-6-[3-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)carbothioylsulfanyl]propyl]naphthalen-1-yl] ethanoate Openeye Name: [4-acetoxy-6-[3-(5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioyl)sulfanylpropyl]-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-6-[3-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-sulfanylidenemethyl]thio]propyl]-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-6-[3-(5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioyl)sulfanylpropyl]naphthalen-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-6-[3-[(5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbothioyl)thio]propyl]-1-naphthyl] ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCC3=CC4=C(C=CC(=C4C=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)SCCCC3=CC4=C(C=CC(=C4C=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H26N2O5S2/c1-17-26(27(33)30(29-17)21-9-5-4-6-10-21)28(36)37-15-7-8-20-11-12-22-23(16-20)25(35-19(3)32)14-13-24(22)34-18(2)31/h4-6,9-14,16,29H,7-8,15H2,1-3H3