N-[[2,6-bis(bromanyl)-4-nitro-phenyl]diazenyl]-3-butyl-1,3-benzothiazol-2-imine

Systemtic Name: N-[[2,6-bis(bromanyl)-4-nitro-phenyl]diazenyl]-3-butyl-1,3-benzothiazol-2-imine Openeye Name: 3-butyl-N-(2,6-dibromo-4-nitro-phenyl)azo-1,3-benzothiazol-2-imine CAS Name: 3-butyl-N-(2,6-dibromo-4-nitrophenyl)azo-1,3-benzothiazol-2-imine IUPAC Name: 3-butyl-N-[(2,6-dibromo-4-nitrophenyl)diazenyl]-1,3-benzothiazol-2-imine Traditional Name: (Z)-(3-butyl-1,3-benzothiazol-2-ylidene)-(2,6-dibromo-4-nitro-phenyl)azo-amine Formula: C17H15Br2N5O2S MolecularWeight: 513.2063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=NN=NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

CCCCN\1C2=CC=CC=C2S/C1=N\N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15Br2N5O2S/c1-2-3-8-23-14-6-4-5-7-15(14)27-17(23)21-22-20-16-12(18)9-11(24(25)26)10-13(16)19/h4-7,9-10H,2-3,8H2,1H3/b21-17-,22-20?