4-[3-bromanyl-4-(trifluoromethylsulfanyl)phenyl]-5-oxidanylidene-N,N-dipropyl-1,2,3,4-tetrazole-1-carboxamide

Systemtic Name: 4-[3-bromanyl-4-(trifluoromethylsulfanyl)phenyl]-5-oxidanylidene-N,N-dipropyl-1,2,3,4-tetrazole-1-carboxamide Openeye Name: 4-[3-bromo-4-(trifluoromethylsulfanyl)phenyl]-5-oxo-N,N-dipropyl-tetrazole-1-carboxamide CAS Name: 4-[3-bromo-4-(trifluoromethylthio)phenyl]-5-oxo-N,N-dipropyl-1-tetrazolecarboxamide IUPAC Name: 4-[3-bromo-4-(trifluoromethylsulfanyl)phenyl]-5-oxo-N,N-dipropyltetrazole-1-carboxamide Traditional Name: 4-[3-bromo-4-(trifluoromethylthio)phenyl]-5-keto-N,N-dipropyl-tetrazole-1-carboxamide Formula: C15H17BrF3N5O2S MolecularWeight: 468.29199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)N1C(=O)N(N=N1)C2=CC(=C(C=C2)SC(F)(F)F)Br

Isomeric SMILES

CCCN(CCC)C(=O)N1C(=O)N(N=N1)C2=CC(=C(C=C2)SC(F)(F)F)Br

InChI

InChI=1S/C15H17BrF3N5O2S/c1-3-7-22(8-4-2)13(25)24-14(26)23(20-21-24)10-5-6-12(11(16)9-10)27-15(17,18)19/h5-6,9H,3-4,7-8H2,1-2H3