3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-ethyl-5-heptyl-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-ethyl-5-heptyl-1,2,4-triazole Openeye Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-heptyl-1,2,4-triazole CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-4-ethyl-5-heptyl-1,2,4-triazole IUPAC Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-5-heptyl-1,2,4-triazole Traditional Name: 3-[(2,6-dichlorobenzyl)thio]-4-ethyl-5-heptyl-1,2,4-triazole Formula: C18H25Cl2N3S MolecularWeight: 386.3822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1CC)SCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCCCC1=NN=C(N1CC)SCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C18H25Cl2N3S/c1-3-5-6-7-8-12-17-21-22-18(23(17)4-2)24-13-14-15(19)10-9-11-16(14)20/h9-11H,3-8,12-13H2,1-2H3