4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(2S)-2-ethyl-4-morpholin-4-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C16H23N4OS2+ MolecularWeight: 351.51002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

CC[C@H]1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C16H22N4OS2/c1-2-13-10-18(7-8-21-13)11-19-16(22)20(12-5-6-12)15(17-19)14-4-3-9-23-14/h3-4,9,12-13H,2,5-8,10-11H2,1H3/p+1/t13-/m0/s1