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

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

Isomeric SMILES

CCCCSC1=NC2(CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S2/c1-2-3-18-30-23-22(21-12-8-5-9-13-21)25-24(26-23)14-16-27(17-15-24)31(28,29)19-20-10-6-4-7-11-20/h4-13H,2-3,14-19H2,1H3