(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H13N3O3S/c1-11-13(8-12-6-7-15-16(9-12)25-10-24-15)18(23)22(21-11)19-20-14-4-2-3-5-17(14)26-19/h2-9H,10H2,1H3/b13-8+