6-methyl-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(1-propyl-5-tetrazolyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-[(1-propyltetrazol-5-yl)methylthio]-4-(trifluoromethyl)nicotinonitrile Formula: C13H13F3N6S MolecularWeight: 342.34273

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

InChI

InChI=1S/C13H13F3N6S/c1-3-4-22-11(19-20-21-22)7-23-12-9(6-17)10(13(14,15)16)5-8(2)18-12/h5H,3-4,7H2,1-2H3