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

Systemtic Name: (4-tert-butylphenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Openeye Name: (4-tert-butylphenyl)-(8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone CAS Name: (4-tert-butylphenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone IUPAC Name: (4-tert-butylphenyl)-(8-methyl-2-phenyl-3-sulfanylidene-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Traditional Name: (4-tert-butylphenyl)-(8-methyl-2-phenyl-3-thioxo-1,4-diaza-8-azoniaspiro[4.5]dec-1-en-4-yl)methanone Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=S)C(=NC23CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=S)C(=NC23CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-24(2,3)20-12-10-19(11-13-20)22(29)28-23(30)21(18-8-6-5-7-9-18)26-25(28)14-16-27(4)17-15-25/h5-13H,14-17H2,1-4H3/p+1