2-(1,3-benzothiazol-2-yl)-4-[[[(2S)-butan-2-yl]amino]methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[[(2S)-butan-2-yl]amino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[[(1S)-1-methylpropyl]amino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[(2S)-butan-2-yl]amino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[[(2S)-butan-2-yl]amino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[[(1S)-1-methylpropyl]amino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)NC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-3-14(2)22-13-16-19(15-9-5-4-6-10-15)24-25(20(16)26)21-23-17-11-7-8-12-18(17)27-21/h4-14,22H,3H2,1-2H3/t14-/m0/s1