1-cyano-2-[2-[[5-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-guanidine

Systemtic Name: 1-cyano-2-[2-[[5-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-guanidine Openeye Name: 1-cyano-2-[2-[[5-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]ethyl]-1-methyl-guanidine CAS Name: 1-cyano-2-[2-[[5-(dimethylaminomethyl)-2-benzofuranyl]methylthio]ethyl]-1-methylguanidine IUPAC Name: 1-cyano-2-[2-[[5-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-methylguanidine Traditional Name: 1-cyano-2-[2-[[5-(dimethylaminomethyl)benzofuran-2-yl]methylthio]ethyl]-1-methyl-guanidine Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)OC(=C2)CSCCN=C(N)N(C)C#N

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)OC(=C2)CSCCN=C(N)N(C)C#N

InChI

InChI=1S/C17H23N5OS/c1-21(2)10-13-4-5-16-14(8-13)9-15(23-16)11-24-7-6-20-17(19)22(3)12-18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,19,20)