3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(2,6-dichlorobenzyl)thio]-5-isopropyl-1H-1,2,4-triazole Formula: C12H13Cl2N3S MolecularWeight: 302.22272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H13Cl2N3S/c1-7(2)11-15-12(17-16-11)18-6-8-9(13)4-3-5-10(8)14/h3-5,7H,6H2,1-2H3,(H,15,16,17)