2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-15(2)22-18(26)14-27-20-24-23-19(17-9-6-11-21-13-17)25(20)12-10-16-7-4-3-5-8-16/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,26)