2-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C14H14BrN7OS MolecularWeight: 408.27626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H14BrN7OS/c1-8-6-11(19-18-8)13-20-21-14(22(13)16)24-7-12(23)17-10-4-2-9(15)3-5-10/h2-6H,7,16H2,1H3,(H,17,23)(H,18,19)