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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(butylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-4-5-10-18-11(2)15-12(3)20-21(16(15)22)17-19-13-8-6-7-9-14(13)23-17/h6-9,18H,4-5,10H2,1-3H3/b15-11-