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

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-5-(3-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC(=CC=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(N2N)C3=CC(=CC=C3)F)OC)OC

InChI

InChI=1S/C18H19FN4O2S/c1-11-7-15(24-2)16(25-3)9-13(11)10-26-18-22-21-17(23(18)20)12-5-4-6-14(19)8-12/h4-9H,10,20H2,1-3H3