N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)C4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2S/c1-30-18-15-27(16-9-4-3-5-10-16)26-20(18)21(29)23-14-8-13-19-24-25-22(31-2)28(19)17-11-6-7-12-17/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3,(H,23,29)