5-[(3-nitrophenyl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 1-isopropyl-5-[(3-nitrophenyl)methylsulfanyl]tetrazole CAS Name: 5-[(3-nitrophenyl)methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 1-isopropyl-5-[(3-nitrobenzyl)thio]tetrazole Formula: C11H13N5O2S MolecularWeight: 279.31822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O2S/c1-8(2)15-11(12-13-14-15)19-7-9-4-3-5-10(6-9)16(17)18/h3-6,8H,7H2,1-2H3