3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethylbenzyl)thio]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C17H17FN4S MolecularWeight: 328.407083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

InChI

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