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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-methyl-2-pyrazolin-3-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4OS/c1-9-10(8-17(2)3)13(19)18(16-9)14-15-11-6-4-5-7-12(11)20-14/h4-8H,1-3H3/b10-8+