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

Systemtic Name: 3-(2-bromophenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-bromophenyl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-bromophenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-bromophenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-bromophenyl)-5-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C20H23BrN4OS MolecularWeight: 447.39182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CC=C3Br)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CC=C3Br)C(C)C

InChI

InChI=1S/C20H23BrN4OS/c1-13(2)16-9-8-15(12-14(16)3)26-10-11-27-20-24-23-19(25(20)22)17-6-4-5-7-18(17)21/h4-9,12-13H,10-11,22H2,1-3H3