1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C11H10ClN3OS MolecularWeight: 267.7346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClN3OS/c1-7(16)6-17-11-13-10(14-15-11)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14,15)