2,1,3-benzothiadiazol-5-ylmethyl-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(piazthiol-5-ylmethyl)ammonium Formula: C24H22N5OS+ MolecularWeight: 428.52938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CC3=CC4=NSN=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CC3=CC4=NSN=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5OS/c1-30-21-9-5-6-18(13-21)24-19(16-29(26-24)20-7-3-2-4-8-20)15-25-14-17-10-11-22-23(12-17)28-31-27-22/h2-13,16,25H,14-15H2,1H3/p+1