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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-methyl-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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