4-[1-[4-(C-oxidanidylcarbonimidoyl)phenyl]-2-propylsulfanyl-imidazol-4-yl]benzenecarboximidate dihydrochloride

Systemtic Name: 4-[1-[4-(C-oxidanidylcarbonimidoyl)phenyl]-2-propylsulfanyl-imidazol-4-yl]benzenecarboximidate dihydrochloride Openeye Name: 4-[1-[4-(oxidocarbonimidoyl)phenyl]-2-propylsulfanyl-imidazol-4-yl]benzenecarboximidate dihydrochloride CAS Name: 4-[1-[4-[imino(oxido)methyl]phenyl]-2-(propylthio)-4-imidazolyl]benzenecarboximidate dihydrochloride IUPAC Name: 4-[1-[4-(C-oxidocarbonimidoyl)phenyl]-2-propylsulfanylimidazol-4-yl]benzenecarboximidate dihydrochloride Traditional Name: 4-[1-[4-(oxidocarbonimidoyl)phenyl]-2-(propylthio)imidazol-4-yl]benzenecarboximidate dihydrochloride Formula: C20H20Cl2N4O2S-2 MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CN1C2=CC=C(C=C2)C(=N)[O-])C3=CC=C(C=C3)C(=N)[O-].Cl.Cl

Isomeric SMILES

CCCSC1=NC(=CN1C2=CC=C(C=C2)C(=N)[O-])C3=CC=C(C=C3)C(=N)[O-].Cl.Cl

InChI

InChI=1S/C20H20N4O2S.2ClH/c1-2-11-27-20-23-17(13-3-5-14(6-4-13)18(21)25)12-24(20)16-9-7-15(8-10-16)19(22)26;;/h3-10,12H,2,11H2,1H3,(H2,21,25)(H2,22,26);2*1H/p-2