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

Systemtic Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(2-methylphenyl)methanone Openeye Name: (8-ethyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(o-tolyl)methanone CAS Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(2-methylphenyl)methanone IUPAC Name: (8-ethyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(2-methylphenyl)methanone Traditional Name: (8-ethyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)-(o-tolyl)methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-3-25-15-13-23(14-16-25)24-20(18-10-5-4-6-11-18)22(28)26(23)21(27)19-12-8-7-9-17(19)2/h4-12H,3,13-16H2,1-2H3/p+1