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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(p-anisylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S/c1-3-6-18-17(14-23-13-15-9-11-16(28-2)12-10-15)21(27)26(25-18)22-24-19-7-4-5-8-20(19)29-22/h4-5,7-12,14,23H,3,6,13H2,1-2H3/b17-14+