N-(2-phenylpropyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-phenylpropyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2-phenylpropyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(2-phenylpropyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2-phenylpropyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2-phenylpropyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c1-20(21-10-4-2-5-11-21)16-26-24(30)19-31-18-22-17-27-29(23-12-6-3-7-13-23)25(22)28-14-8-9-15-28/h2-15,17,20H,16,18-19H2,1H3,(H,26,30)