3,5-bis[(3-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis[(3-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis[(3-methoxyphenyl)methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 3,5-bis[(3-methoxyphenyl)methylthio]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis[(3-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis(m-anisylthio)isothiazole-4-carbonitrile Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=C(C(=NS2)SCC3=CC(=CC=C3)OC)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=C(C(=NS2)SCC3=CC(=CC=C3)OC)C#N

InChI

InChI=1S/C20H18N2O2S3/c1-23-16-7-3-5-14(9-16)12-25-19-18(11-21)20(27-22-19)26-13-15-6-4-8-17(10-15)24-2/h3-10H,12-13H2,1-2H3