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

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-7-nitro-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 4-(9-ethylcarbazol-3-yl)-7-nitro-2-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 4-(9-ethyl-3-carbazolyl)-7-nitro-2-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile IUPAC Name: 4-(9-ethylcarbazol-3-yl)-7-nitro-2-oxopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 4-(9-ethylcarbazol-3-yl)-2-keto-7-nitro-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C25H15N5O3S MolecularWeight: 465.4833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C4N3C5=C(S4)C=CC(=C5)[N+](=O)[O-])C#N)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C4N3C5=C(S4)C=CC(=C5)[N+](=O)[O-])C#N)C6=CC=CC=C61

InChI

InChI=1S/C25H15N5O3S/c1-2-28-19-6-4-3-5-16(19)17-11-14(7-9-20(17)28)23-18(13-26)24(31)27-25-29(23)21-12-15(30(32)33)8-10-22(21)34-25/h3-12H,2H2,1H3