4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]amino]benzonitrile CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl]amino]benzonitrile IUPAC Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl]amino]benzonitrile Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]amino]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H17N5OS/c1-22-11-17(20-14-8-6-13(10-19)7-9-14)23(24,12-22)18-21-15-4-2-3-5-16(15)25-18/h2-9,17,20H,11-12H2,1H3