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

Systemtic Name: 2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-5-nitro-benzonitrile Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)SC(=C2C)C

InChI

InChI=1S/C19H18N4O3S2/c1-4-5-8-22-18(24)16-11(2)12(3)27-17(16)21-19(22)28-15-7-6-14(23(25)26)9-13(15)10-20/h6-7,9H,4-5,8H2,1-3H3