1-cyano-2-methyl-1-[2-[[3-(4-phenylmethoxybutoxy)pyridin-2-yl]methylsulfanyl]ethyl]guanidine

Systemtic Name: 1-cyano-2-methyl-1-[2-[[3-(4-phenylmethoxybutoxy)pyridin-2-yl]methylsulfanyl]ethyl]guanidine Openeye Name: 1-[2-[[3-(4-benzyloxybutoxy)-2-pyridyl]methylsulfanyl]ethyl]-1-cyano-2-methyl-guanidine CAS Name: 1-cyano-2-methyl-1-[2-[[3-(4-phenylmethoxybutoxy)-2-pyridinyl]methylthio]ethyl]guanidine IUPAC Name: 1-cyano-2-methyl-1-[2-[[3-(4-phenylmethoxybutoxy)pyridin-2-yl]methylsulfanyl]ethyl]guanidine Traditional Name: 1-[2-[[3-(4-benzoxybutoxy)-2-pyridyl]methylthio]ethyl]-1-cyano-2-methyl-guanidine Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(CCSCC1=C(C=CC=N1)OCCCCOCC2=CC=CC=C2)C#N

Isomeric SMILES

CN=C(N)N(CCSCC1=C(C=CC=N1)OCCCCOCC2=CC=CC=C2)C#N

InChI

InChI=1S/C22H29N5O2S/c1-25-22(24)27(18-23)12-15-30-17-20-21(10-7-11-26-20)29-14-6-5-13-28-16-19-8-3-2-4-9-19/h2-4,7-11H,5-6,12-17H2,1H3,(H2,24,25)