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

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-pentyl-1,2,4-triazole Openeye Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-pentyl-1,2,4-triazole CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-4-pentyl-1,2,4-triazole IUPAC Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-pentyl-1,2,4-triazole Traditional Name: 4-amyl-3-[(2,6-dichlorobenzyl)thio]-1,2,4-triazole Formula: C14H17Cl2N3S MolecularWeight: 330.27588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C14H17Cl2N3S/c1-2-3-4-8-19-10-17-18-14(19)20-9-11-12(15)6-5-7-13(11)16/h5-7,10H,2-4,8-9H2,1H3