(8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone

Systemtic Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone Openeye Name: (8-ethyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone CAS Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone IUPAC Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone Traditional Name: (8-ethyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(3-fluorophenyl)methanone Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H22FN3OS/c1-2-25-13-11-22(12-14-25)24-19(16-7-4-3-5-8-16)21(28)26(22)20(27)17-9-6-10-18(23)15-17/h3-10,15H,2,11-14H2,1H3/p+1