3-(3-fluorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-fluorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(3-fluorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-(3-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C15H13FN4S MolecularWeight: 300.353923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C15H13FN4S/c16-13-8-4-7-12(9-13)14-18-19-15(20(14)17)21-10-11-5-2-1-3-6-11/h1-9H,10,17H2