4-(3-methoxypropyl)-3-prop-2-ynylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 4-(3-methoxypropyl)-3-prop-2-ynylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 4-(3-methoxypropyl)-3-prop-2-ynylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-(prop-2-ynylthio)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 4-(3-methoxypropyl)-3-prop-2-ynylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 4-(3-methoxypropyl)-3-(propargylthio)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C16H16F3N3OS MolecularWeight: 355.37795

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC#C)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCCN1C(=NN=C1SCC#C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3N3OS/c1-3-11-24-15-21-20-14(22(15)9-4-10-23-2)12-5-7-13(8-6-12)16(17,18)19/h1,5-8H,4,9-11H2,2H3