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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-4-yl]amine Formula: C19H17BrN6OS MolecularWeight: 457.34688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H17BrN6OS/c1-27-15-8-4-13(5-9-15)16-10-17(23-22-16)18-24-25-19(26(18)21)28-11-12-2-6-14(20)7-3-12/h2-10H,11,21H2,1H3,(H,22,23)