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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C14H12BrN5OS2 MolecularWeight: 410.31198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C14H12BrN5OS2/c15-9-3-1-4-10(7-9)17-12(21)8-23-14-19-18-13(20(14)16)11-5-2-6-22-11/h1-7H,8,16H2,(H,17,21)