1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine hydrochloride

Systemtic Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine hydrochloride Openeye Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynyl-guanidine hydrochloride CAS Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-prop-2-ynylguanidine hydrochloride IUPAC Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-prop-2-ynylguanidine hydrochloride Traditional Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-propargyl-guanidine hydrochloride Formula: C12H17ClN6S MolecularWeight: 312.82158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NCC#C)NC#N.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NCC#C)NC#N.Cl

InChI

InChI=1S/C12H16N6S.ClH/c1-3-4-14-12(16-8-13)15-5-6-19-7-11-10(2)17-9-18-11;/h1,9H,4-7H2,2H3,(H,17,18)(H2,14,15,16);1H