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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-chlorobenzyl)acetamide Formula: C16H15ClN6OS MolecularWeight: 374.8479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN6OS/c17-13-5-3-11(4-6-13)8-20-14(24)10-25-16-22-21-15(23(16)18)12-2-1-7-19-9-12/h1-7,9H,8,10,18H2,(H,20,24)