5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-phenethyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-3-phenethyl-2-thioxo-thiazolidin-4-one Formula: C22H18BrNO3S2 MolecularWeight: 488.41722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)Br)OCC#C

InChI

InChI=1S/C22H18BrNO3S2/c1-3-11-27-20-17(23)12-16(13-18(20)26-2)14-19-21(25)24(22(28)29-19)10-9-15-7-5-4-6-8-15/h1,4-8,12-14H,9-11H2,2H3