3,5-bis[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-(4-bromophenyl)-2-keto-ethyl]thio]isothiazole-4-carbonitrile Formula: C20H12Br2N2O2S3 MolecularWeight: 568.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC=C(C=C3)Br)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC=C(C=C3)Br)C#N)Br

InChI

InChI=1S/C20H12Br2N2O2S3/c21-14-5-1-12(2-6-14)17(25)10-27-19-16(9-23)20(29-24-19)28-11-18(26)13-3-7-15(22)8-4-13/h1-8H,10-11H2