N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amino]isonicotinamide Formula: C20H12N6O5S2 MolecularWeight: 480.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1/C=N/NC(=O)C2=CC=NC=C2)[N+](=O)[O-])SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O5S2/c27-19(13-5-7-21-8-6-13)24-22-11-12-1-4-17(16(9-12)26(30)31)32-20-23-15-3-2-14(25(28)29)10-18(15)33-20/h1-11H,(H,24,27)/b22-11+