2-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-ammonium Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NN=C(N1C2CC2)COC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)CCSC1=NN=C(N1C2CC2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C16H21ClN4OS/c1-20(2)9-10-23-16-19-18-15(21(16)12-7-8-12)11-22-14-6-4-3-5-13(14)17/h3-6,12H,7-11H2,1-2H3/p+1