N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-isopropyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1-isopropyl-5-methyl-pyrazole-3-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

InChI

InChI=1S/C21H28N4O3S/c1-6-27-11-10-24-18-9-8-16(28-7-2)13-19(18)29-21(24)22-20(26)17-12-15(5)25(23-17)14(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3