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

Systemtic Name: 8-(4-tert-butylphenyl)sulfonyl-3-butylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 8-(4-tert-butylphenyl)sulfonyl-3-butylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 8-(4-tert-butylphenyl)sulfonyl-3-(butylthio)-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 8-(4-tert-butylphenyl)sulfonyl-3-butylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 8-(4-tert-butylphenyl)sulfonyl-3-(butylthio)-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S2/c1-5-6-20-33-25-24(21-10-8-7-9-11-21)28-27(29-25)16-18-30(19-17-27)34(31,32)23-14-12-22(13-15-23)26(2,3)4/h7-15H,5-6,16-20H2,1-4H3