N-[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide Openeye Name: N-[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]pyridine-4-carboxamide CAS Name: N-[2-anilino-4-(4-nitrophenyl)-3-thiazol-3-iumyl]-4-pyridinecarboxamide IUPAC Name: N-[2-anilino-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide Traditional Name: N-[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]isonicotinamide Formula: C21H16N5O3S+ MolecularWeight: 418.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H15N5O3S/c27-20(16-10-12-22-13-11-16)24-25-19(15-6-8-18(9-7-15)26(28)29)14-30-21(25)23-17-4-2-1-3-5-17/h1-14H,(H,24,27)/p+1