7,9-dinitro-2-oxidanylidene-4-thiophen-2-yl-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile

Systemtic Name: 7,9-dinitro-2-oxidanylidene-4-thiophen-2-yl-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 7,9-dinitro-2-oxo-4-(2-thienyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 7,9-dinitro-2-oxo-4-thiophen-2-yl-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile IUPAC Name: 7,9-dinitro-2-oxo-4-thiophen-2-ylpyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 2-keto-7,9-dinitro-4-(2-thienyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C15H5N5O5S2 MolecularWeight: 399.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=O)N=C3N2C4=CC(=CC(=C4S3)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=O)N=C3N2C4=CC(=CC(=C4S3)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C15H5N5O5S2/c16-6-8-12(11-2-1-3-26-11)18-9-4-7(19(22)23)5-10(20(24)25)13(9)27-15(18)17-14(8)21/h1-5H