3-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C(C)C)C

InChI

InChI=1S/C19H19N3OS2/c1-11(2)22-18(23)16-12(3)13(4)25-17(16)21-19(22)24-10-15-7-5-6-14(8-15)9-20/h5-8,11H,10H2,1-4H3