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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-fluorophenyl)methyl]-5-[(2-methoxy-5-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-fluorobenzyl)-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C18H19FN4OS MolecularWeight: 358.433063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4OS/c1-12-3-8-16(24-2)14(9-12)11-25-18-22-21-17(23(18)20)10-13-4-6-15(19)7-5-13/h3-9H,10-11,20H2,1-2H3