N-[(E)-[5-bromanyl-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[5-bromanyl-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[5-bromo-2-(2-nitrobenzyl)oxy-benzylidene]amino]amine Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=NNC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)/C=N/NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O3S/c22-16-9-10-19(29-13-14-5-1-3-7-18(14)26(27)28)15(11-16)12-23-25-21-24-17-6-2-4-8-20(17)30-21/h1-12H,13H2,(H,24,25)/b23-12+