N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]amino]amine Formula: C19H16N6O3S MolecularWeight: 408.43374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC2=NC3=CC=CC=C3S2)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S/c1-28-17-7-6-13(8-14(17)11-24-12-15(10-21-24)25(26)27)9-20-23-19-22-16-4-2-3-5-18(16)29-19/h2-10,12H,11H2,1H3,(H,22,23)/b20-9+