2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C19H25N5O2S/c25-17(23-9-11-26-12-10-23)14-27-19-22-21-18(15-5-4-8-20-13-15)24(19)16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2