S-phenyl 3-[(E)-2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethenyl]benzenecarbothioate

Systemtic Name: S-phenyl 3-[(E)-2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethenyl]benzenecarbothioate Openeye Name: S-phenyl 3-[(E)-2-(3,5-dibromo-4-hydroxy-phenyl)vinyl]benzenecarbothioate CAS Name: 3-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]benzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]benzenecarbothioate Traditional Name: 3-[(E)-2-(3,5-dibromo-4-hydroxy-phenyl)vinyl]thiobenzoic acid S-phenyl ester Formula: C21H14Br2O2S MolecularWeight: 490.20766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)C2=CC=CC(=C2)C=CC3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)C2=CC=CC(=C2)/C=C/C3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C21H14Br2O2S/c22-18-12-15(13-19(23)20(18)24)10-9-14-5-4-6-16(11-14)21(25)26-17-7-2-1-3-8-17/h1-13,24H/b10-9+