(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C17H17ClFN4S+ MolecularWeight: 363.860083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16ClFN4S/c1-21(10-14-15(18)8-5-9-16(14)19)12-23-17(24)22(11-20-23)13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3/p+1