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

Systemtic Name: N-(3-methylbutyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-isoamyl-2-[[4-phenyl-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)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

InChI

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