N-[(4-dimethylaminophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-[(4-dimethylaminophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-[(4-dimethylaminophenyl)methyl]-3-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [4-[[[3-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amino]methyl]phenyl]-dimethyl-amine Formula: C18H20FN5S MolecularWeight: 357.448303

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN5S/c1-23(2)17-9-5-14(6-10-17)11-21-24-13-20-22-18(24)25-12-15-3-7-16(19)8-4-15/h3-10,13,21H,11-12H2,1-2H3