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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N4OS/c1-2-5-13-12(10-18-11-8-9-11)16(22)21(20-13)17-19-14-6-3-4-7-15(14)23-17/h3-4,6-7,10-11,18H,2,5,8-9H2,1H3/b12-10+