3-cyclopropyl-4-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-4-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclopropyl-4-isopropyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-4-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-cyclopropyl-4-propan-2-yl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclopropyl-4-isopropyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C16H18F3N3S MolecularWeight: 341.39443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CC3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3CC3

InChI

InChI=1S/C16H18F3N3S/c1-10(2)22-14(12-6-7-12)20-21-15(22)23-9-11-4-3-5-13(8-11)16(17,18)19/h3-5,8,10,12H,6-7,9H2,1-2H3