N-[(4-chlorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[(4-chlorophenyl)methyl]-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(4-chlorobenzyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C24H23ClN4OS MolecularWeight: 450.98362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=C(C=C3)Cl)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=C(C=C3)Cl)N4C=CC=C4

InChI

InChI=1S/C24H23ClN4OS/c25-21-10-8-19(9-11-21)16-26-23(30)12-15-31-18-20-17-27-29(22-6-2-1-3-7-22)24(20)28-13-4-5-14-28/h1-11,13-14,17H,12,15-16,18H2,(H,26,30)