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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorobenzyl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC(=CC=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H18ClN5OS/c23-18-8-4-6-16(12-18)13-25-20(29)15-30-22-27-26-21(17-7-5-11-24-14-17)28(22)19-9-2-1-3-10-19/h1-12,14H,13,15H2,(H,25,29)