2-(6-azanyl-1,3-benzothiazol-2-yl)-5-pentadecyl-4H-pyrazol-3-one

Systemtic Name: 2-(6-azanyl-1,3-benzothiazol-2-yl)-5-pentadecyl-4H-pyrazol-3-one Openeye Name: 2-(6-amino-1,3-benzothiazol-2-yl)-5-pentadecyl-4H-pyrazol-3-one CAS Name: 2-(6-amino-1,3-benzothiazol-2-yl)-5-pentadecyl-4H-pyrazol-3-one IUPAC Name: 2-(6-amino-1,3-benzothiazol-2-yl)-5-pentadecyl-4H-pyrazol-3-one Traditional Name: 2-(6-amino-1,3-benzothiazol-2-yl)-5-pentadecyl-2-pyrazolin-3-one Formula: C25H38N4OS MolecularWeight: 442.66042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C25H38N4OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-19-24(30)29(28-21)25-27-22-17-16-20(26)18-23(22)31-25/h16-18H,2-15,19,26H2,1H3