3-butylsulfanyl-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

Systemtic Name: 3-butylsulfanyl-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 3-butylsulfanyl-2-phenyl-8-(p-tolylsulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 3-(butylthio)-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 3-butylsulfanyl-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 3-(butylthio)-2-phenyl-8-tosyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N=C1C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N=C1C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S2/c1-3-4-18-30-23-22(20-8-6-5-7-9-20)25-24(26-23)14-16-27(17-15-24)31(28,29)21-12-10-19(2)11-13-21/h5-13H,3-4,14-18H2,1-2H3