1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(4-oxidanylbutyl)guanidine

Systemtic Name: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(4-oxidanylbutyl)guanidine Openeye Name: 1-cyano-2-(4-hydroxybutyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 1-cyano-2-(4-hydroxybutyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: 1-cyano-2-(4-hydroxybutyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-2-(4-hydroxybutyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C13H22N6OS MolecularWeight: 310.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCO)N

Isomeric SMILES

CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCO)N

InChI

InChI=1S/C13H22N6OS/c1-11-12(18-10-17-11)8-21-7-5-19(9-14)13(15)16-4-2-3-6-20/h10,20H,2-8H2,1H3,(H2,15,16)(H,17,18)