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

Systemtic Name: 2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(1-propyl-5-tetrazolyl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(1-propyltetrazol-5-yl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C16H13F3N6S2 MolecularWeight: 410.43983

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C16H13F3N6S2/c1-2-5-25-14(22-23-24-25)9-27-15-10(8-20)11(16(17,18)19)7-12(21-15)13-4-3-6-26-13/h3-4,6-7H,2,5,9H2,1H3