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

Systemtic Name: 2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrole-3-carbonitrile Openeye Name: 2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrole-3-carbonitrile CAS Name: 2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrole-3-carbonitrile Traditional Name: 2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrole-3-carbonitrile Formula: C19H12N2S4 MolecularWeight: 396.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)C3=CC(=C(N3)C4SC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)C3=CC(=C(N3)C4SC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C19H12N2S4/c20-10-11-9-12(18-22-13-5-1-2-6-14(13)23-18)21-17(11)19-24-15-7-3-4-8-16(15)25-19/h1-9,18-19,21H