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

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionitrile Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS2/c1-11-12(2)23-15-14(11)16(21)20(13-7-4-3-5-8-13)17(19-15)22-10-6-9-18/h3-5,7-8H,6,10H2,1-2H3