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

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(2-fluorophenyl)methylthio]-4-methyl-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 3-[(2-fluorobenzyl)thio]-4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C16H17FN4S MolecularWeight: 316.396383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC=CC=C3F

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC=CC=C3F

InChI

InChI=1S/C16H17FN4S/c1-20-9-5-7-13(20)10-15-18-19-16(21(15)2)22-11-12-6-3-4-8-14(12)17/h3-9H,10-11H2,1-2H3