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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S2/c18-17(19)11-5-3-4-10(8-11)15-9-16-12-6-1-2-7-13(12)21-14(16)20/h1-8,15H,9H2