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

Systemtic Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-nitro-1H-pyrrole Openeye Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-nitro-1H-pyrrole CAS Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-nitro-1H-pyrrole IUPAC Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-nitro-1H-pyrrole Traditional Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-nitro-1H-pyrrole Formula: C18H12N2O2S4 MolecularWeight: 416.56008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)C3=CC(=C(N3)C4SC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)C3=CC(=C(N3)C4SC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O2S4/c21-20(22)11-9-10(17-23-12-5-1-2-6-13(12)24-17)19-16(11)18-25-14-7-3-4-8-15(14)26-18/h1-9,17-19H