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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/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/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,22,26)