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

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H26N6OS/c33-24(28-22-10-12-23(13-11-22)31-15-4-5-16-31)19-34-26-30-29-25(21-9-6-14-27-17-21)32(26)18-20-7-2-1-3-8-20/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,28,33)