4-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C19H26N5O2S2- MolecularWeight: 420.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C19H27N5O2S2/c25-16(13-24-17(21-22-18(24)27)15-5-4-12-28-15)20-14-19(6-2-1-3-7-19)23-8-10-26-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,20,25)(H,22,27)/p-1