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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-(piazthiol-5-ylmethyl)ammonium Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H21N5OS/c1-13(21-11-15-4-9-19-20(10-15)24-27-23-19)18-12-22-25(14(18)2)16-5-7-17(26-3)8-6-16/h4-10,12-13,21H,11H2,1-3H3/p+1/t13-/m0/s1