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

Systemtic Name: 2-[(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-butyl-4-keto-5,6-dimethyl-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:

CCCCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3C#N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3C#N)SC(=C2C)C

InChI

InChI=1S/C20H21N3OS2/c1-4-5-10-23-19(24)17-13(2)14(3)26-18(17)22-20(23)25-12-16-9-7-6-8-15(16)11-21/h6-9H,4-5,10,12H2,1-3H3