2-(1,3-benzothiazol-2-yl)-4-[1-[(4-methylphenyl)amino]ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[(4-methylphenyl)amino]ethylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(p-toluidino)ethylidene]-2-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-4-7-18-20(15(3)23-16-12-10-14(2)11-13-16)21(27)26(25-18)22-24-17-8-5-6-9-19(17)28-22/h5-6,8-13,23H,4,7H2,1-3H3