5-[[3-(1,2,4-triazol-4-yliminomethyl)indol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(1,2,4-triazol-4-yliminomethyl)indol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(1,2,4-triazol-4-yliminomethyl)indol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-(1,2,4-triazol-4-yliminomethyl)-1-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(1,2,4-triazol-4-yliminomethyl)indol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(1,2,4-triazol-4-yliminomethyl)indol-1-yl]methyl]-2-furoic acid Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=NN4C=NN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=NN4C=NN=C4

InChI

InChI=1S/C17H13N5O3/c23-17(24)16-6-5-13(25-16)9-21-8-12(7-20-22-10-18-19-11-22)14-3-1-2-4-15(14)21/h1-8,10-11H,9H2,(H,23,24)