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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C17H16ClN5OS/c1-23-16(13-6-8-19-9-7-13)21-22-17(23)25-11-15(24)20-10-12-2-4-14(18)5-3-12/h2-9H,10-11H2,1H3,(H,20,24)