1-(3-bromophenyl)-N-prop-2-ynyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-prop-2-ynyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-prop-2-ynyl-triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-prop-2-ynyl-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-prop-2-ynyltriazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-propargyl-triazole-4-carboxamide Formula: C12H9BrN4O MolecularWeight: 305.13006

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CN(N=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

C#CCNC(=O)C1=CN(N=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H9BrN4O/c1-2-6-14-12(18)11-8-17(16-15-11)10-5-3-4-9(13)7-10/h1,3-5,7-8H,6H2,(H,14,18)