6-bromanyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde

Systemtic Name: 6-bromanyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde Openeye Name: 6-bromo-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-chromene-3-carbaldehyde CAS Name: 6-bromo-8-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1-benzopyran-3-carboxaldehyde IUPAC Name: 6-bromo-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde Traditional Name: 6-bromo-4-keto-8-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]chromene-3-carbaldehyde Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O

Isomeric SMILES

CN1C=NN=C1SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O

InChI

InChI=1S/C14H10BrN3O3S/c1-18-7-16-17-14(18)22-6-8-2-10(15)3-11-12(20)9(4-19)5-21-13(8)11/h2-5,7H,6H2,1H3