4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]morpholine

Systemtic Name: 4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]morpholine Openeye Name: 4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]morpholine CAS Name: 4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]morpholine IUPAC Name: 4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]morpholine Traditional Name: 4-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]morpholine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4OS/c1-3-9-19(10-4-1)21-23-24-22(26(21)20-11-5-2-6-12-20)28-18-8-7-13-25-14-16-27-17-15-25/h1,3-4,9-10,20H,2,5-6,11-18H2