4-(4-ethylphenyl)-3-[[(4-fluorophenyl)amino]methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-ethylphenyl)-3-[[(4-fluorophenyl)amino]methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-ethylphenyl)-3-[(4-fluoroanilino)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-ethylphenyl)-3-[(4-fluoroanilino)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-ethylphenyl)-3-[(4-fluoroanilino)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-ethylphenyl)-3-[(4-fluoroanilino)methyl]-1H-1,2,4-triazole-5-thione Formula: C17H17FN4S MolecularWeight: 328.407083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4S/c1-2-12-3-9-15(10-4-12)22-16(20-21-17(22)23)11-19-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3,(H,21,23)