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

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-[2-(trifluoromethyl)benzyl]amine Formula: C17H16F3N5S MolecularWeight: 379.40265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H16F3N5S/c18-17(19,20)15-9-5-4-6-13(15)12-21-10-11-26-16-22-23-24-25(16)14-7-2-1-3-8-14/h1-9,21H,10-12H2