[N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]-prop-2-ynyl-azanium

Systemtic Name: [N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]-prop-2-ynyl-azanium Openeye Name: [N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]-prop-2-ynyl-ammonium CAS Name: [(cyanoamino)-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylimino]methyl]-prop-2-ynylammonium IUPAC Name: [N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]-prop-2-ynylazanium Traditional Name: [N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]amidino]-propargyl-ammonium Formula: C12H17N6S+ MolecularWeight: 277.36858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C([NH2+]CC#C)NC#N

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C([NH2+]CC#C)NC#N

InChI

InChI=1S/C12H16N6S/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)/p+1