2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)ethanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethyl-4-piperidyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-ethyl-4-piperidinyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(1-ethyl-4-piperidyl)acetamide Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

Isomeric SMILES

CCN1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

InChI

InChI=1S/C22H30N6O2S/c1-3-27-11-9-17(10-12-27)24-20(30)14-31-22-26-25-21(16-7-8-16)28(22)19-6-4-5-18(13-19)23-15(2)29/h4-6,13,16-17H,3,7-12,14H2,1-2H3,(H,23,29)(H,24,30)