N-[(2-methylphenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-(o-tolylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[(2-methylphenyl)methyl]-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-[(2-methylphenyl)methyl]-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(2-methylbenzyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CCSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

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