1-but-3-yn-2-yl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Systemtic Name: 1-but-3-yn-2-yl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Openeye Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-(1-methylprop-2-ynyl)guanidine CAS Name: 1-but-3-yn-2-yl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: 1-but-3-yn-2-yl-1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-(1-methylprop-2-ynyl)guanidine Formula: C13H18N6S MolecularWeight: 290.38722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6S/c1-4-10(2)19(8-14)13(15)16-5-6-20-7-12-11(3)17-9-18-12/h1,9-10H,5-7H2,2-3H3,(H2,15,16)(H,17,18)