N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]isonicotinamide Formula: C20H13N5O3S2 MolecularWeight: 435.47892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3S2/c26-19(14-7-9-21-10-8-14)24-22-12-13-5-6-18(16(11-13)25(27)28)30-20-23-15-3-1-2-4-17(15)29-20/h1-12H,(H,24,26)