5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-propan-2-yl-1,2,3,4-tetrazole

Systemtic Name: 5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 1-isopropyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-tetrazole CAS Name: 5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-propan-2-yltetrazole IUPAC Name: 5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-propan-2-yltetrazole Traditional Name: 1-isopropyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]tetrazole Formula: C11H10F3N5O2S MolecularWeight: 333.28961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H10F3N5O2S/c1-6(2)18-10(15-16-17-18)22-9-4-3-7(11(12,13)14)5-8(9)19(20)21/h3-6H,1-2H3