4-bromanyl-5-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde

Systemtic Name: 4-bromanyl-5-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]furan-2-carbaldehyde Openeye Name: 5-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-4-bromo-furan-2-carbaldehyde CAS Name: 4-bromo-5-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-furancarboxaldehyde IUPAC Name: 5-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-4-bromofuran-2-carbaldehyde Traditional Name: 5-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-4-bromo-furfural Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(O2)C=O)Br)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(O2)C=O)Br)CC3=CC=CC=C3

InChI

InChI=1S/C16H14BrN3O2S/c1-2-20-14(8-11-6-4-3-5-7-11)18-19-16(20)23-15-13(17)9-12(10-21)22-15/h3-7,9-10H,2,8H2,1H3