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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-4-yl]amine Formula: C13H13BrN6S MolecularWeight: 365.25152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C13H13BrN6S/c1-8-6-11(17-16-8)12-18-19-13(20(12)15)21-7-9-2-4-10(14)5-3-9/h2-6H,7,15H2,1H3,(H,16,17)