[(Z)-N-[4-(1H-imidazol-5-yl)phenyl]-N'-(1-methylsulfanylethyl)carbamimidoyl]phosphonic acid

Systemtic Name: [(Z)-N-[4-(1H-imidazol-5-yl)phenyl]-N'-(1-methylsulfanylethyl)carbamimidoyl]phosphonic acid Openeye Name: [(Z)-N-[4-(1H-imidazol-5-yl)phenyl]-N'-(1-methylsulfanylethyl)carbamimidoyl]phosphonic acid CAS Name: [(Z)-[4-(1H-imidazol-5-yl)anilino]-[1-(methylthio)ethylimino]methyl]phosphonic acid IUPAC Name: [(Z)-N-[4-(1H-imidazol-5-yl)phenyl]-N'-(1-methylsulfanylethyl)carbamimidoyl]phosphonic acid Traditional Name: [(Z)-N-[4-(1H-imidazol-5-yl)phenyl]-N'-[1-(methylthio)ethyl]amidino]phosphonic acid Formula: C13H17N4O3PS MolecularWeight: 340.337841

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Descriptors Computed from Structure

Canonical SMILES:

CC(N=C(NC1=CC=C(C=C1)C2=CN=CN2)P(=O)(O)O)SC

Isomeric SMILES

CC(/N=C(/NC1=CC=C(C=C1)C2=CN=CN2)\P(=O)(O)O)SC

InChI

InChI=1S/C13H17N4O3PS/c1-9(22-2)16-13(21(18,19)20)17-11-5-3-10(4-6-11)12-7-14-8-15-12/h3-9H,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)