2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-N-(3-pyridylmethyl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CN=CC=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CN=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H21N5OS/c28-21(24-14-18-7-6-10-23-13-18)17-29-16-19-15-25-27(20-8-2-1-3-9-20)22(19)26-11-4-5-12-26/h1-13,15H,14,16-17H2,(H,24,28)