1-[5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[5-amino-3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-amino-3-[(4-chlorobenzyl)thio]-1,2,4-triazol-1-yl]ethanone Formula: C11H11ClN4OS MolecularWeight: 282.74924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)SCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC(=O)N1C(=NC(=N1)SCC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C11H11ClN4OS/c1-7(17)16-10(13)14-11(15-16)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,15)