3,6-bis(4-ethylphenyl)-5-sulfanylidene-1H-pyrrolo[3,4-c]pyrrol-5-ium

Systemtic Name: 3,6-bis(4-ethylphenyl)-5-sulfanylidene-1H-pyrrolo[3,4-c]pyrrol-5-ium Openeye Name: 3,6-bis(4-ethylphenyl)-5-thioxo-1H-pyrrolo[3,4-c]pyrrol-5-ium CAS Name: 3,6-bis(4-ethylphenyl)-5-sulfanylidene-1H-pyrrolo[3,4-c]pyrrol-5-ium IUPAC Name: 3,6-bis(4-ethylphenyl)-5-sulfanylidene-1H-pyrrolo[3,4-c]pyrrol-5-ium Traditional Name: 3,6-bis(4-ethylphenyl)-5-thioxo-1H-pyrrolo[3,4-c]pyrrol-5-ium Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3CN=C(C3=C[N+]2=S)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3CN=C(C3=C[N+]2=S)C4=CC=C(C=C4)CC

InChI

InChI=1S/C22H21N2S/c1-3-15-5-9-17(10-6-15)21-20-14-24(25)22(19(20)13-23-21)18-11-7-16(4-2)8-12-18/h5-12,14H,3-4,13H2,1-2H3/q+1