3-[(3-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-5-[(1-methyl-2-pyrrolyl)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrrol-2-yl)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-fluorobenzyl)thio]-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C18H19FN4S MolecularWeight: 342.433663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H19FN4S/c1-3-9-23-17(12-16-8-5-10-22(16)2)20-21-18(23)24-13-14-6-4-7-15(19)11-14/h3-8,10-11H,1,9,12-13H2,2H3