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

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-7,9-dinitro-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 4-(9-ethylcarbazol-3-yl)-7,9-dinitro-2-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 4-(9-ethyl-3-carbazolyl)-7,9-dinitro-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile IUPAC Name: 4-(9-ethylcarbazol-3-yl)-7,9-dinitro-2-oxopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 4-(9-ethylcarbazol-3-yl)-2-keto-7,9-dinitro-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C25H14N6O5S MolecularWeight: 510.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C4N3C5=CC(=CC(=C5S4)[N+](=O)[O-])[N+](=O)[O-])C#N)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C4N3C5=CC(=CC(=C5S4)[N+](=O)[O-])[N+](=O)[O-])C#N)C6=CC=CC=C61

InChI

InChI=1S/C25H14N6O5S/c1-2-28-18-6-4-3-5-15(18)16-9-13(7-8-19(16)28)22-17(12-26)24(32)27-25-29(22)20-10-14(30(33)34)11-21(31(35)36)23(20)37-25/h3-11H,2H2,1H3