6-bromanyl-8-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde

Systemtic Name: 6-bromanyl-8-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-chromene-3-carbaldehyde Openeye Name: 6-bromo-8-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-chromene-3-carbaldehyde CAS Name: 6-bromo-8-[[(1-methyl-5-tetrazolyl)thio]methyl]-4-oxo-1-benzopyran-3-carboxaldehyde IUPAC Name: 6-bromo-8-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxochromene-3-carbaldehyde Traditional Name: 6-bromo-4-keto-8-[[(1-methyltetrazol-5-yl)thio]methyl]chromene-3-carbaldehyde Formula: C13H9BrN4O3S MolecularWeight: 381.20456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C3C(=CC(=C2)Br)C(=O)C(=CO3)C=O

InChI

InChI=1S/C13H9BrN4O3S/c1-18-13(15-16-17-18)22-6-7-2-9(14)3-10-11(20)8(4-19)5-21-12(7)10/h2-5H,6H2,1H3