(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2,3-dihydro-1H-inden-2-ylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2,3-dihydro-1H-inden-2-ylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(indan-2-ylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2,3-dihydro-1H-inden-2-ylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2,3-dihydro-1H-inden-2-ylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(indan-2-ylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2CC3=CC=CC=C3C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2CC3=CC=CC=C3C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4OS/c1-2-7-19-18(14-24-17-12-15-8-3-4-9-16(15)13-17)22(28)27(26-19)23-25-20-10-5-6-11-21(20)29-23/h3-6,8-11,14,17,24H,2,7,12-13H2,1H3/b18-14+