3-[(2-fluorophenyl)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-fluorophenyl)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-fluorophenyl)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-fluorophenyl)methyl]-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-fluorophenyl)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-fluorobenzyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H17FN6S MolecularWeight: 380.441883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C19H17FN6S/c20-17-5-2-1-4-15(17)12-18-23-24-19(26(18)21)27-13-14-6-8-16(9-7-14)25-11-3-10-22-25/h1-11H,12-13,21H2