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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=S)N(N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)CC1=NC(=S)N(N1)C2=CC(=CC=C2)Cl

InChI

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