3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]amino]propyl-cyclohexyl-azanium

Systemtic Name: 3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]amino]propyl-cyclohexyl-azanium Openeye Name: 3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]amino]propyl-cyclohexyl-ammonium CAS Name: 3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]amino]propyl-cyclohexylammonium IUPAC Name: 3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]amino]propyl-cyclohexylazanium Traditional Name: 3-[[(Z)-[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methyl]amino]propyl-cyclohexyl-ammonium Formula: C26H30N5OS+ MolecularWeight: 460.6143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]CCCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH2+]CCCN/C=C\2/C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5OS/c32-25-21(18-27-16-9-17-28-20-12-5-2-6-13-20)24(19-10-3-1-4-11-19)30-31(25)26-29-22-14-7-8-15-23(22)33-26/h1,3-4,7-8,10-11,14-15,18,20,27-28H,2,5-6,9,12-13,16-17H2/p+1/b21-18-