N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-chloranyl-benzamide

Systemtic Name: N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-chloranyl-benzamide Openeye Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-chloro-benzamide CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-chlorobenzamide IUPAC Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-chlorobenzamide Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-chloro-benzamide Formula: C11H10ClN5O2S MolecularWeight: 311.7474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=O)CSC2=NNC(=N2)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=O)CSC2=NNC(=N2)N)Cl

InChI

InChI=1S/C11H10ClN5O2S/c12-7-3-1-6(2-4-7)9(19)14-8(18)5-20-11-15-10(13)16-17-11/h1-4H,5H2,(H,14,18,19)(H3,13,15,16,17)