2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-2-32-25(19-9-5-3-6-10-19)29-30-26(32)34-18-24(33)28-22-11-12-23(31-15-7-4-8-16-31)20-13-14-27-17-21(20)22/h3,5-6,9-14,17H,2,4,7-8,15-16,18H2,1H3,(H,28,33)