3-[[(2-fluorophenyl)amino]methyl]-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[[(2-fluorophenyl)amino]methyl]-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-fluoroanilino)methyl]-5-isopropylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-fluoroanilino)methyl]-5-(propan-2-ylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-fluoroanilino)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [4-amino-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl-(2-fluorophenyl)amine Formula: C12H16FN5S MolecularWeight: 281.352343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1N)CNC2=CC=CC=C2F

Isomeric SMILES

CC(C)SC1=NN=C(N1N)CNC2=CC=CC=C2F

InChI

InChI=1S/C12H16FN5S/c1-8(2)19-12-17-16-11(18(12)14)7-15-10-6-4-3-5-9(10)13/h3-6,8,15H,7,14H2,1-2H3