5-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde

Systemtic Name: 5-[(5-phenylazanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde Openeye Name: 5-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde CAS Name: 5-[[(5-anilino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxaldehyde IUPAC Name: 5-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbaldehyde Traditional Name: 5-[[(5-anilino-1H-1,2,4-triazol-3-yl)thio]methyl]furfural Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(O3)C=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=C(O3)C=O

InChI

InChI=1S/C14H12N4O2S/c19-8-11-6-7-12(20-11)9-21-14-16-13(17-18-14)15-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)