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

Systemtic Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]isothiazole-4-carbonitrile Formula: C24H22N2O6S3 MolecularWeight: 530.63628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC(=C(C=C3)OC)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C(=NS2)SCC(=O)C3=CC(=C(C=C3)OC)OC)C#N)OC

InChI

InChI=1S/C24H22N2O6S3/c1-29-19-7-5-14(9-21(19)31-3)17(27)12-33-23-16(11-25)24(35-26-23)34-13-18(28)15-6-8-20(30-2)22(10-15)32-4/h5-10H,12-13H2,1-4H3