2-[(4-nitrophenyl)amino]-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile

Systemtic Name: 2-[(4-nitrophenyl)amino]-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Openeye Name: 2-(4-nitroanilino)-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile CAS Name: 2-(4-nitroanilino)-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile IUPAC Name: 2-(4-nitroanilino)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Traditional Name: 4-keto-2-(4-nitroanilino)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile Formula: C17H9N5O3S MolecularWeight: 363.35006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C(=C(N=C3S2)NC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C(=C(N=C3S2)NC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H9N5O3S/c18-9-12-15(19-10-5-7-11(8-6-10)22(24)25)20-17-21(16(12)23)13-3-1-2-4-14(13)26-17/h1-8,19H