cyclohexyl-methyl-[[4-[[(2S)-oxolan-2-yl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[4-[[(2S)-oxolan-2-yl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[4-[[(2S)-2-oxolanyl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[4-[[(2S)-oxolan-2-yl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: cyclohexyl-methyl-[[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C19H29N4OS2+ MolecularWeight: 393.58976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)CC3CCCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)C[C@@H]3CCCO3)C4CCCCC4

InChI

InChI=1S/C19H28N4OS2/c1-21(15-7-3-2-4-8-15)14-23-19(25)22(13-16-9-5-11-24-16)18(20-23)17-10-6-12-26-17/h6,10,12,15-16H,2-5,7-9,11,13-14H2,1H3/p+1/t16-/m0/s1