3-methyl-1-phenyl-N-(3-propylsulfanylpropyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 3-methyl-1-phenyl-N-(3-propylsulfanylpropyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 3-methyl-1-phenyl-N-(3-propylsulfanylpropyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-1-phenyl-N-[3-(propylthio)propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 3-methyl-1-phenyl-N-(3-propylsulfanylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 3-methyl-1-phenyl-N-[3-(propylthio)propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CCCSCCCNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-3-15-27-16-9-12-22-20(26)19-17(2)23-25(18-10-5-4-6-11-18)21(19)24-13-7-8-14-24/h4-8,10-11,13-14H,3,9,12,15-16H2,1-2H3,(H,22,26)