3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,4-triazole CAS Name: 3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-4-methyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-[5-tert-butyl-2-(4-fluorobenzyl)pyrazol-3-yl]-4-methyl-1,2,4-triazole Formula: C20H24FN5S MolecularWeight: 385.501463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C)SCC=C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C)SCC=C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN5S/c1-6-11-27-19-23-22-18(25(19)5)16-12-17(20(2,3)4)24-26(16)13-14-7-9-15(21)10-8-14/h6-10,12H,1,11,13H2,2-5H3