3-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]propyl-diethyl-azanium Openeye Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]propyl-diethyl-ammonium CAS Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]propyl-diethylammonium IUPAC Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]propyl-diethylazanium Traditional Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methylamino]propyl-diethyl-ammonium Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC[NH+](CC)CC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCC[NH+](CC)CC)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H29N5OS/c1-4-10-17-16(15-22-13-9-14-25(5-2)6-3)20(27)26(24-17)21-23-18-11-7-8-12-19(18)28-21/h7-8,11-12,15,22H,4-6,9-10,13-14H2,1-3H3/p+1