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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-5-nitro-benzonitrile Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(C)C)C

InChI

InChI=1S/C18H16N4O3S2/c1-9(2)21-17(23)15-10(3)11(4)26-16(15)20-18(21)27-14-6-5-13(22(24)25)7-12(14)8-19/h5-7,9H,1-4H3