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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromobenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H15BrN4OS/c1-22-14-7-5-12(6-8-14)15-19-20-16(21(15)18)23-10-11-3-2-4-13(17)9-11/h2-9H,10,18H2,1H3