2-(4-acetamidophenyl)sulfanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methylacetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c1-20(32)28-23-13-15-25(16-14-23)34-19-26(33)30(2)17-22-18-31(24-11-7-4-8-12-24)29-27(22)21-9-5-3-6-10-21/h3-16,18H,17,19H2,1-2H3,(H,28,32)