3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(2,6-dichlorophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(2,6-dichlorobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C12H11Cl2N3OS MolecularWeight: 316.20624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C12H11Cl2N3OS/c13-9-2-1-3-10(14)8(9)6-19-12-16-15-11(18)17(12)7-4-5-7/h1-3,7H,4-6H2,(H,15,18)