1-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethylidene-phenethyl-azanium

Systemtic Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethylidene-phenethyl-azanium Openeye Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]ethylidene-phenethyl-ammonium CAS Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]ethylidene-phenethylammonium IUPAC Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]ethylidene-phenethylazanium Traditional Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-yl]ethylidene-phenethyl-ammonium Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=[NH+]CCC2=CC=CC=C2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C(=[NH+]CCC2=CC=CC=C2)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-14(22-13-12-16-8-4-3-5-9-16)19-15(2)24-25(20(19)26)21-23-17-10-6-7-11-18(17)27-21/h3-11,19H,12-13H2,1-2H3/p+1/t19-/m0/s1