3,5-bis(2-phenylsulfanylethanoyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis(2-phenylsulfanylethanoyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis(2-phenylsulfanylacetyl)isothiazole-4-carbonitrile CAS Name: 3,5-bis[1-oxo-2-(phenylthio)ethyl]-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis(2-phenylsulfanylacetyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis[2-(phenylthio)acetyl]isothiazole-4-carbonitrile Formula: C20H14N2O2S3 MolecularWeight: 410.53236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)C2=C(C(=NS2)C(=O)CSC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)C2=C(C(=NS2)C(=O)CSC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H14N2O2S3/c21-11-16-19(17(23)12-25-14-7-3-1-4-8-14)22-27-20(16)18(24)13-26-15-9-5-2-6-10-15/h1-10H,12-13H2