3-[azanyl-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[azanyl-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[amino-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[amino-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[amino-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[amino-(4-nitrophenyl)methyl]-1,3-benzothiazole-2-thione Formula: C14H11N3O2S2 MolecularWeight: 317.38604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)C(C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)C(C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C14H11N3O2S2/c15-13(9-5-7-10(8-6-9)17(18)19)16-11-3-1-2-4-12(11)21-14(16)20/h1-8,13H,15H2