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

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

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

Canonical SMILES:

CC1=C(N=CN1)CSCC[N+](CC#C)(C#N)C(=N)N


Isomeric SMILES

CC1=C(N=CN1)CSCC[N+](CC#C)(C#N)C(=N)N


InChI

InChI=1S/C12H17N6S/c1-3-4-18(8-13,12(14)15)5-6-19-7-11-10(2)16-9-17-11/h1,9H,4-7H2,2H3,(H3,14,15)(H,16,17)/q+1


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