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

Systemtic Name: 3-[(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C)C

InChI

InChI=1S/C17H15N3OS2/c1-10-11(2)23-15-14(10)16(21)20(3)17(19-15)22-9-13-6-4-5-12(7-13)8-18/h4-7H,9H2,1-3H3