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

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c27-21(23-15-19-12-7-13-28-19)16-29-22-25-24-20(14-17-8-3-1-4-9-17)26(22)18-10-5-2-6-11-18/h1,3-4,7-9,12-13,18H,2,5-6,10-11,14-16H2,(H,23,27)