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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-2-(trifluoromethyl)benzonitrile Formula: C10H6F3N5S MolecularWeight: 285.24835

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CN1C(=NN=N1)SC2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C10H6F3N5S/c1-18-9(15-16-17-18)19-7-3-2-6(5-14)8(4-7)10(11,12)13/h2-4H,1H3