1-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione

Systemtic Name: 1-(2-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione Openeye Name: 1-(2-chloro-4-methylsulfonyl-phenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione CAS Name: 1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione IUPAC Name: 1-(2-chloro-4-methylsulfonylphenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione Traditional Name: 1-(2-chloro-4-mesyl-phenyl)-3-cyclopropyl-2-(1,2,4-triazol-1-yl)propane-1,3-dione Formula: C15H14ClN3O4S MolecularWeight: 367.80736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C(=O)C2CC2)N3C=NC=N3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C(=O)C2CC2)N3C=NC=N3)Cl

InChI

InChI=1S/C15H14ClN3O4S/c1-24(22,23)10-4-5-11(12(16)6-10)15(21)13(14(20)9-2-3-9)19-8-17-7-18-19/h4-9,13H,2-3H2,1H3