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

Systemtic Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-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-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-cyclopentyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5)C6=CC=CC=C6

InChI

InChI=1S/C28H30N6OS/c35-26(19-36-28-31-30-27(22-15-16-22)33(28)18-20-9-3-1-4-10-20)29-25-17-24(21-11-7-8-12-21)32-34(25)23-13-5-2-6-14-23/h1-6,9-10,13-14,17,21-22H,7-8,11-12,15-16,18-19H2,(H,29,35)