2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C15H11N3OS2 MolecularWeight: 313.39734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC#N)C3=CC=CC=C3

InChI

InChI=1S/C15H11N3OS2/c1-9-11(10-5-3-2-4-6-10)12-13(19)17-15(20-8-7-16)18-14(12)21-9/h2-6H,8H2,1H3,(H,17,18,19)