3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazole Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3OS/c1-13(2)24-17-6-4-5-15(11-17)18-21-22-19(23(18)3)25-12-14-7-9-16(20)10-8-14/h4-11,13H,12H2,1-3H3