3-(4-fluorophenyl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-fluorophenyl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-4-methyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 3-(4-fluorophenyl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C18H16FN3S MolecularWeight: 325.403143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3S/c1-22-17(15-9-11-16(19)12-10-15)20-21-18(22)23-13-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3/b8-5+