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

Systemtic Name: 3-[[(4-nitrophenyl)amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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