2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C20H24N6OS/c1-25(12-15-11-21-26(13-15)17-9-3-2-4-10-17)18(27)14-28-20-22-19(23-24-20)16-7-5-6-8-16/h2-4,9-11,13,16H,5-8,12,14H2,1H3,(H,22,23,24)