N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-27-16-7-9-17(10-8-16)28-15-20(26)25(14-13-24-12-4-11-22-24)21-23-18-5-2-3-6-19(18)29-21/h2-12H,13-15H2,1H3