(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-2-pyrazolin-3-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)OCC

Isomeric SMILES

CC/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)/OCC

InChI

InChI=1S/C16H17N3O2S/c1-4-12(21-5-2)14-10(3)18-19(15(14)20)16-17-11-8-6-7-9-13(11)22-16/h6-9H,4-5H2,1-3H3/b14-12-