[(1S)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxidanylidene-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-[[(1S)-1-tetralin-6-ylethyl]amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-[4-(4-fluorophenyl)-5-[[2-keto-2-[[(1S)-1-tetralin-6-ylethyl]amino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C26H33FN5OS+ MolecularWeight: 482.636523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C(C)[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC2=C(CCCC2)C=C1)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)[C@H](C)[NH+](C)C

InChI

InChI=1S/C26H32FN5OS/c1-17(20-10-9-19-7-5-6-8-21(19)15-20)28-24(33)16-34-26-30-29-25(18(2)31(3)4)32(26)23-13-11-22(27)12-14-23/h9-15,17-18H,5-8,16H2,1-4H3,(H,28,33)/p+1/t17-,18-/m0/s1