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

Systemtic Name: 3,5-bis[[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[[2-keto-2-(3-methoxyphenyl)ethyl]thio]isothiazole-4-carbonitrile Formula: C22H18N2O4S3 MolecularWeight: 470.58432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S3/c1-27-16-7-3-5-14(9-16)19(25)12-29-21-18(11-23)22(31-24-21)30-13-20(26)15-6-4-8-17(10-15)28-2/h3-10H,12-13H2,1-2H3