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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)acetamide Formula: C13H15BrN6O2S MolecularWeight: 399.2662

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CCNC(=O)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C13H15BrN6O2S/c1-2-16-12(22)17-10(21)7-23-13-19-18-11(20(13)15)8-5-3-4-6-9(8)14/h3-6H,2,7,15H2,1H3,(H2,16,17,21,22)