2-[3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine

Systemtic Name: 2-[3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Openeye Name: 2-[3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine CAS Name: 2-[3-[(3-fluorophenyl)methylthio]-5-phenyl-1,2,4-triazol-4-yl]ethanamine IUPAC Name: 2-[3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Traditional Name: 2-[3-[(3-fluorobenzyl)thio]-5-phenyl-1,2,4-triazol-4-yl]ethylamine Formula: C17H17FN4S MolecularWeight: 328.407083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN4S/c18-15-8-4-5-13(11-15)12-23-17-21-20-16(22(17)10-9-19)14-6-2-1-3-7-14/h1-8,11H,9-10,12,19H2