3-butylsulfanyl-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

Systemtic Name: 3-butylsulfanyl-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 3-butylsulfanyl-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 3-(butylthio)-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 3-butylsulfanyl-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 3-(butylthio)-8-(2,5-dimethylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S2/c1-4-5-17-31-24-23(21-9-7-6-8-10-21)26-25(27-24)13-15-28(16-14-25)32(29,30)22-18-19(2)11-12-20(22)3/h6-12,18H,4-5,13-17H2,1-3H3