3-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-diethyl-azanium

Systemtic Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-diethylazanium Traditional Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-yl]methyleneamino]propyl-diethyl-ammonium Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5OS/c1-3-28(4-2)16-10-15-25-17-19-22(18-11-6-5-7-12-18)27-29(23(19)30)24-26-20-13-8-9-14-21(20)31-24/h5-9,11-14,17,19H,3-4,10,15-16H2,1-2H3/p+1