4-[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[5-(3,4-dimethylphenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[5-(3,4-dimethylphenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCC#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCC#N)C)C

InChI

InChI=1S/C19H19N3OS2/c1-12-6-7-14(10-13(12)2)15-11-25-17-16(15)18(23)22(3)19(21-17)24-9-5-4-8-20/h6-7,10-11H,4-5,9H2,1-3H3