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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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