2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-nitrophenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-nitrobenzyl)thio]-1,3-benzothiazole Formula: C14H10N2O2S2 MolecularWeight: 302.3714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O2S2/c17-16(18)11-7-5-10(6-8-11)9-19-14-15-12-3-1-2-4-13(12)20-14/h1-8H,9H2