N-[(4-chlorophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C20H22ClN5OS/c1-3-12-26-18(16-8-10-22-11-9-16)24-25-20(26)28-14(2)19(27)23-13-15-4-6-17(21)7-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)