(4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4OS/c1-12-14(11-19-13-7-3-2-4-8-13)17(23)22(21-12)18-20-15-9-5-6-10-16(15)24-18/h5-6,9-11,13,19H,2-4,7-8H2,1H3/b14-11+