methyl 2-[3-[3-[(E)-pent-2-enyl]sulfanylphenyl]-5-phenyl-4-sulfanylidene-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[3-[(E)-pent-2-enyl]sulfanylphenyl]-5-phenyl-4-sulfanylidene-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[3-[3-[(E)-pent-2-enyl]sulfanylphenyl]-5-phenyl-4-thioxo-1-pyridyl]acetate CAS Name: 2-[3-[3-[[(E)-pent-2-enyl]thio]phenyl]-5-phenyl-4-sulfanylidene-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-[(E)-pent-2-enyl]sulfanylphenyl]-5-phenyl-4-sulfanylidenepyridin-1-yl]acetate Traditional Name: 2-[3-[3-[[(E)-pent-2-enyl]thio]phenyl]-5-phenyl-4-thioxo-1-pyridyl]acetic acid methyl ester Formula: C25H25NO2S2 MolecularWeight: 435.6015

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCSC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC/C=C/CSC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C25H25NO2S2/c1-3-4-8-14-30-21-13-9-12-20(15-21)23-17-26(18-24(27)28-2)16-22(25(23)29)19-10-6-5-7-11-19/h4-13,15-17H,3,14,18H2,1-2H3/b8-4+