3-(4-fluorophenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-fluorophenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-fluorophenyl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-fluorophenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-fluorophenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-fluorophenyl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C20H23FN4OS MolecularWeight: 386.486223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C20H23FN4OS/c1-13(2)18-9-8-17(12-14(18)3)26-10-11-27-20-24-23-19(25(20)22)15-4-6-16(21)7-5-15/h4-9,12-13H,10-11,22H2,1-3H3