[3-(4-butylphenyl)-5-[4-(3-methoxyphenyl)sulfanylphenyl]-4-sulfanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-(4-butylphenyl)-5-[4-(3-methoxyphenyl)sulfanylphenyl]-4-sulfanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-(4-butylphenyl)-5-[4-(3-methoxyphenyl)sulfanylphenyl]-4-thioxo-1-pyridyl] acetate CAS Name: acetic acid [3-(4-butylphenyl)-5-[4-[(3-methoxyphenyl)thio]phenyl]-4-sulfanylidene-1-pyridinyl] ester IUPAC Name: [3-(4-butylphenyl)-5-[4-(3-methoxyphenyl)sulfanylphenyl]-4-sulfanylidenepyridin-1-yl] acetate Traditional Name: acetic acid [3-(4-butylphenyl)-5-[4-[(3-methoxyphenyl)thio]phenyl]-4-thioxo-1-pyridyl] ester Formula: C30H29NO3S2 MolecularWeight: 515.68616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)SC4=CC=CC(=C4)OC)OC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)SC4=CC=CC(=C4)OC)OC(=O)C

InChI

InChI=1S/C30H29NO3S2/c1-4-5-7-22-10-12-23(13-11-22)28-19-31(34-21(2)32)20-29(30(28)35)24-14-16-26(17-15-24)36-27-9-6-8-25(18-27)33-3/h6,8-20H,4-5,7H2,1-3H3