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

Systemtic Name: N-pentan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-methylbutyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-pentan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-pentan-2-yl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-methylbutyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-7-15(2)22-18(26)14-27-20-24-23-19(16-10-12-21-13-11-16)25(20)17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,22,26)