(4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-propyl-2-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS/c1-4-7-12-11(10-19(2)3)15(21)20(18-12)16-17-13-8-5-6-9-14(13)22-16/h5-6,8-10H,4,7H2,1-3H3/b11-10-