(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-methoxypropylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-11(18-9-6-10-23-3)15-12(2)20-21(16(15)22)17-19-13-7-4-5-8-14(13)24-17/h4-5,7-8,18H,6,9-10H2,1-3H3/b15-11+