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

Systemtic Name: 3-ethylsulfanyl-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 3-ethylsulfanyl-2-phenyl-8-(p-tolylsulfonyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 3-(ethylthio)-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 3-ethylsulfanyl-8-(4-methylphenyl)sulfonyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 3-(ethylthio)-2-phenyl-8-tosyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N=C1C4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N=C1C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S2/c1-3-28-21-20(18-7-5-4-6-8-18)23-22(24-21)13-15-25(16-14-22)29(26,27)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3