dimethyl-[(1S)-1-phenyl-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]ethyl]ammonium Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NNC(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NNC(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS2/c1-23(2)14(13-7-4-3-5-8-13)11-19-16(24)12-26-18-20-17(21-22-18)15-9-6-10-25-15/h3-10,14H,11-12H2,1-2H3,(H,19,24)(H,20,21,22)/p+1/t14-/m1/s1