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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(3-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=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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