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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C15H13BrN6OS MolecularWeight: 405.27232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C15H13BrN6OS/c16-11-4-1-5-12(7-11)19-13(23)9-24-15-21-20-14(22(15)17)10-3-2-6-18-8-10/h1-8H,9,17H2,(H,19,23)