5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carbaldehyde

Systemtic Name: 5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carbaldehyde Openeye Name: 5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carbaldehyde CAS Name: 5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carboxaldehyde IUPAC Name: 5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carbaldehyde Traditional Name: 5-(1,3-benzodithiol-2-yl)-1H-pyrrole-2-carbaldehyde Formula: C12H9NOS2 MolecularWeight: 247.33596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)C3=CC=C(N3)C=O

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)C3=CC=C(N3)C=O

InChI

InChI=1S/C12H9NOS2/c14-7-8-5-6-9(13-8)12-15-10-3-1-2-4-11(10)16-12/h1-7,12-13H