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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-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:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C26H28N6OS/c1-19-29-30-26(32(19)17-20-8-4-2-5-9-20)34-18-25(33)28-23-10-11-24(31-14-6-3-7-15-31)21-12-13-27-16-22(21)23/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,28,33)