N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-benzamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-benzamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-benzamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-ethoxybenzamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-ethoxybenzamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-ethoxy-benzamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=C(C=C4S3)C)C)C

InChI

InChI=1S/C22H22N4O2S/c1-5-28-17-8-6-16(7-9-17)21(27)23-19-12-15(4)25-26(19)22-24-20-14(3)10-13(2)11-18(20)29-22/h6-12H,5H2,1-4H3,(H,23,27)