2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-5-nitrobenzonitrile IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-5-nitro-benzonitrile Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C16H12N4O3S2/c1-8-9(2)25-16-14(8)15(21)18-13(19-16)7-24-12-4-3-11(20(22)23)5-10(12)6-17/h3-5H,7H2,1-2H3,(H,18,19,21)