2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(tetrahydrofurfuryl)acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4CCCO4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4CCCO4

InChI

InChI=1S/C21H28N4O2S/c26-19(22-14-18-12-7-13-27-18)15-28-21-24-23-20(16-8-3-1-4-9-16)25(21)17-10-5-2-6-11-17/h2,5-6,10-11,16,18H,1,3-4,7-9,12-15H2,(H,22,26)