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

Systemtic Name: 2-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H19N3OS2/c1-14(2)15-7-9-16(10-8-15)19-13-28-22-20(19)21(27)25-23(26-22)29-12-18-6-4-3-5-17(18)11-24/h3-10,13-14H,12H2,1-2H3,(H,25,26,27)