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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(ethylcarbamoyl)propionamide Formula: C14H17BrN6O2S MolecularWeight: 413.29278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C14H17BrN6O2S/c1-3-17-13(23)18-12(22)8(2)24-14-20-19-11(21(14)16)9-6-4-5-7-10(9)15/h4-8H,3,16H2,1-2H3,(H2,17,18,22,23)