2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine CAS Name: 2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-amine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine Traditional Name: [2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C14H11N3O2S2 MolecularWeight: 317.38604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-]

InChI

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