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

Systemtic Name: 3-ethylsulfanyl-2-phenyl-8-(phenylmethyl)sulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Openeye Name: 8-benzylsulfonyl-3-ethylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene CAS Name: 3-(ethylthio)-2-phenyl-8-(phenylmethyl)sulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene IUPAC Name: 8-benzylsulfonyl-3-ethylsulfanyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene Traditional Name: 8-benzylsulfonyl-3-(ethylthio)-2-phenyl-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)CC3=CC=CC=C3)N=C1C4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S2/c1-2-28-21-20(19-11-7-4-8-12-19)23-22(24-21)13-15-25(16-14-22)29(26,27)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3