4-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(4-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-11-12(2)25-16-15(11)17(23)22(14-7-5-13(19)6-8-14)18(21-16)24-10-4-3-9-20/h5-8H,3-4,10H2,1-2H3