2-methylsulfanyl-5-[2-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]-4-phenyl-thiophene-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-5-[2-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]-4-phenyl-thiophene-3-carbonitrile Openeye Name: 2-methylsulfanyl-5-[2-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-[2-(2-methylsulfonylethylthio)-4-pyrimidinyl]-2-(methylthio)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 2-methylsulfanyl-5-[2-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]-4-phenylthiophene-3-carbonitrile Traditional Name: 5-[2-(2-mesylethylthio)pyrimidin-4-yl]-2-(methylthio)-4-phenyl-thiophene-3-carbonitrile Formula: C19H17N3O2S4 MolecularWeight: 447.61718

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SCCS(=O)(=O)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SCCS(=O)(=O)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H17N3O2S4/c1-25-18-14(12-20)16(13-6-4-3-5-7-13)17(27-18)15-8-9-21-19(22-15)26-10-11-28(2,23)24/h3-9H,10-11H2,1-2H3