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

Systemtic Name: 1-but-2-ynyl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Openeye Name: 1-but-2-ynyl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 1-but-2-ynyl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: 1-but-2-ynyl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 1-but-2-ynyl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C13H18N6S MolecularWeight: 290.38722

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C#N)C(=NCCSCC1=C(NC=N1)C)N

Isomeric SMILES

CC#CCN(C#N)C(=NCCSCC1=C(NC=N1)C)N

InChI

InChI=1S/C13H18N6S/c1-3-4-6-19(9-14)13(15)16-5-7-20-8-12-11(2)17-10-18-12/h10H,5-8H2,1-2H3,(H2,15,16)(H,17,18)