2-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H21N3OS2/c1-4-12(2)9-16-13(3)26-19-17(16)18(24)22-20(23-19)25-11-15-8-6-5-7-14(15)10-21/h5-8,12H,4,9,11H2,1-3H3,(H,22,23,24)