N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)CNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=NN1)CNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H22N6O2S/c1-16-17(12-23-25-16)11-22-20(28)15-30(29)14-18-13-24-27(19-7-3-2-4-8-19)21(18)26-9-5-6-10-26/h2-10,12-13H,11,14-15H2,1H3,(H,22,28)(H,23,25)