[(1S)-1-[4-(4-fluorophenyl)-5-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C21H31FN5OS+ MolecularWeight: 420.567143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C(C)[NH+](C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)[C@H](C)[NH+](C)C

InChI

InChI=1S/C21H30FN5OS/c1-14-5-9-17(10-6-14)23-19(28)13-29-21-25-24-20(15(2)26(3)4)27(21)18-11-7-16(22)8-12-18/h7-8,11-12,14-15,17H,5-6,9-10,13H2,1-4H3,(H,23,28)/p+1/t14?,15-,17?/m0/s1