2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H28N6OS/c34-25(29-23-9-11-24(12-10-23)32-17-5-2-6-18-32)20-35-27-31-30-26(22-13-15-28-16-14-22)33(27)19-21-7-3-1-4-8-21/h1,3-4,7-16H,2,5-6,17-20H2,(H,29,34)