3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4OS/c1-12(2)24-16-5-3-4-14(10-16)17-21-22-18(23(17)20)25-11-13-6-8-15(19)9-7-13/h3-10,12H,11,20H2,1-2H3