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

Systemtic Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C25H26N6OS/c1-18-5-7-19(8-6-18)31-17-27-29-25(31)33-16-24(32)28-22-9-10-23(30-13-3-2-4-14-30)20-11-12-26-15-21(20)22/h5-12,15,17H,2-4,13-14,16H2,1H3,(H,28,32)