2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pentylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pentylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(pentylamino)methylene]-5-(p-tolylsulfanylmethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-methylphenyl)thio]methyl]-4-[(pentylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pentylamino)methylidene]pyrazol-3-one Traditional Name: 4-[(amylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N4OS2/c1-3-4-7-14-25-15-19-21(16-30-18-12-10-17(2)11-13-18)27-28(23(19)29)24-26-20-8-5-6-9-22(20)31-24/h5-6,8-13,15,25H,3-4,7,14,16H2,1-2H3