4-[(4-methylphenyl)methylsulfanyl]-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-7-nitro-2,1,3-benzoxadiazole Openeye Name: 7-nitro-4-(p-tolylmethylsulfanyl)-2,1,3-benzoxadiazole CAS Name: 4-[(4-methylphenyl)methylthio]-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[(4-methylbenzyl)thio]-7-nitro-benzofurazan Formula: C14H11N3O3S MolecularWeight: 301.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-9-2-4-10(5-3-9)8-21-12-7-6-11(17(18)19)13-14(12)16-20-15-13/h2-7H,8H2,1H3