4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(1-cyclopropyl-5-tetrazolyl)thio]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(1-cyclopropyltetrazol-5-yl)thio]-2-(trifluoromethyl)benzonitrile Formula: C12H8F3N5S MolecularWeight: 311.28563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1CC1N2C(=NN=N2)SC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C12H8F3N5S/c13-12(14,15)10-5-9(4-1-7(10)6-16)21-11-17-18-19-20(11)8-2-3-8/h1,4-5,8H,2-3H2