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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2-chlorophenyl)methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chlorobenzyl)acetamide Formula: C11H12ClN5OS MolecularWeight: 297.76388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NNC(=N2)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NNC(=N2)N)Cl

InChI

InChI=1S/C11H12ClN5OS/c12-8-4-2-1-3-7(8)5-14-9(18)6-19-11-15-10(13)16-17-11/h1-4H,5-6H2,(H,14,18)(H3,13,15,16,17)