4-[2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-1,2,3,4-tetrazol-5-yl]benzamide

Systemtic Name: 4-[2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-1,2,3,4-tetrazol-5-yl]benzamide Openeye Name: 4-[2-[2-oxo-2-(prop-2-ynylamino)ethyl]tetrazol-5-yl]benzamide CAS Name: 4-[2-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-tetrazolyl]benzamide IUPAC Name: 4-[2-[2-oxo-2-(prop-2-ynylamino)ethyl]tetrazol-5-yl]benzamide Traditional Name: 4-[2-[2-keto-2-(propargylamino)ethyl]tetrazol-5-yl]benzamide Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C#CCNC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C13H12N6O2/c1-2-7-15-11(20)8-19-17-13(16-18-19)10-5-3-9(4-6-10)12(14)21/h1,3-6H,7-8H2,(H2,14,21)(H,15,20)