[4-acetyloxy-6-[3-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)carbothioylsulfanyl]propyl]naphthalen-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-6-[3-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)carbothioylsulfanyl]propyl]naphthalen-1-yl] ethanoate Openeye Name: [4-acetoxy-6-[3-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbothioyl)sulfanylpropyl]-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-6-[3-[[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-sulfanylidenemethyl]thio]propyl]-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-6-[3-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbothioyl)sulfanylpropyl]naphthalen-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-6-[3-[(3-keto-5-methyl-3-pyrazoline-4-carbothioyl)thio]propyl]-1-naphthyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(=S)SCCCC2=CC3=C(C=CC(=C3C=C2)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(=S)SCCCC2=CC3=C(C=CC(=C3C=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H22N2O5S2/c1-12-20(21(27)24-23-12)22(30)31-10-4-5-15-6-7-16-17(11-15)19(29-14(3)26)9-8-18(16)28-13(2)25/h6-9,11H,4-5,10H2,1-3H3,(H2,23,24,27)