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

Systemtic Name: N-(4-phenylbutan-2-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(4-phenylbutan-2-yl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H28N4OS/c1-21(14-15-22-10-4-2-5-11-22)28-25(31)20-32-19-23-18-27-30(24-12-6-3-7-13-24)26(23)29-16-8-9-17-29/h2-13,16-18,21H,14-15,19-20H2,1H3,(H,28,31)