11-sulfanylidene-5,7,8,9,10,10a-hexahydrobenzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile

Systemtic Name: 11-sulfanylidene-5,7,8,9,10,10a-hexahydrobenzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Openeye Name: 11-thioxo-5,7,8,9,10,10a-hexahydrobenzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile CAS Name: 11-sulfanylidene-5,7,8,9,10,10a-hexahydrobenzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile IUPAC Name: 11-sulfanylidene-5,7,8,9,10,10a-hexahydrobenzimidazolo[1,2-b]isoquinolin-12-ium-6-carbonitrile Traditional Name: 11-thioxo-5,7,8,9,10,10a-hexahydrobenzimidazol[1,2-b]isoquinolin-12-ium-6-carbonitrile Formula: C16H14N3S+ MolecularWeight: 280.36746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=[N+](C4=CC=CC=C4N3)C(=S)C2C1)C#N

Isomeric SMILES

C1CCC2=C(C3=[N+](C4=CC=CC=C4N3)C(=S)C2C1)C#N

InChI

InChI=1S/C16H13N3S/c17-9-12-10-5-1-2-6-11(10)16(20)19-14-8-4-3-7-13(14)18-15(12)19/h3-4,7-8,11H,1-2,5-6H2/p+1