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

Systemtic Name: 5-nitro-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-benzenecarbonitrile Openeye Name: 5-nitro-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-benzonitrile CAS Name: 5-nitro-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]benzonitrile IUPAC Name: 5-nitro-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbenzonitrile Traditional Name: 2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-5-nitro-benzonitrile Formula: C19H10N4O3S2 MolecularWeight: 406.4377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N)SC=C3

InChI

InChI=1S/C19H10N4O3S2/c20-11-12-10-14(23(25)26)6-7-16(12)28-19-21-17-15(8-9-27-17)18(24)22(19)13-4-2-1-3-5-13/h1-10H