N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-cyclopentyl-2-phenyl-3-pyrazolyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-cyclopentyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c1-2-32-25(17-20-11-5-3-6-12-20)29-30-27(32)35-19-26(34)28-24-18-23(21-13-9-10-14-21)31-33(24)22-15-7-4-8-16-22/h3-8,11-12,15-16,18,21H,2,9-10,13-14,17,19H2,1H3,(H,28,34)