5-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile

Systemtic Name: 5-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile Openeye Name: 5-[2-(3,3-dimethyl-2-oxo-butyl)sulfanylpyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-pyrimidinyl]-2-(methylthio)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-[2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidin-4-yl]-2-methylsulfanyl-4-phenylthiophene-3-carbonitrile Traditional Name: 5-[2-[(2-keto-3,3-dimethyl-butyl)thio]pyrimidin-4-yl]-2-(methylthio)-4-phenyl-thiophene-3-carbonitrile Formula: C22H21N3OS3 MolecularWeight: 439.61664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC=CC(=N1)C2=C(C(=C(S2)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC=CC(=N1)C2=C(C(=C(S2)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3OS3/c1-22(2,3)17(26)13-28-21-24-11-10-16(25-21)19-18(14-8-6-5-7-9-14)15(12-23)20(27-4)29-19/h5-11H,13H2,1-4H3