3-[[(4-bromophenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(4-bromophenyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-bromoanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[(4-bromoanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-bromoanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-bromoanilino)methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C14H10BrN3O2S2 MolecularWeight: 396.2821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)Br

Isomeric SMILES

C1=CC(=CC=C1NCN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)Br

InChI

InChI=1S/C14H10BrN3O2S2/c15-9-1-3-10(4-2-9)16-8-17-12-6-5-11(18(19)20)7-13(12)22-14(17)21/h1-7,16H,8H2