(4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-phenethyl-carbonimidoyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-phenethyliminoethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-phenethylcarbonimidoyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(C-methyl-N-phenethyl-carbonimidoyl)-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NCCC2=CC=CC=C2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C(=NCCC2=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/t19-/m0/s1