2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[(1R)-1-phenylethyl]amino]methylene]-2-pyrazolin-3-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(C)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=CN[C@H](C)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4OS/c1-13(15-8-4-3-5-9-15)21-12-16-14(2)23-24(19(16)25)20-22-17-10-6-7-11-18(17)26-20/h3-13,21H,1-2H3/t13-/m1/s1