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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-16(21(27)23-15-19-13-8-14-28-19)29-22-24-20(17-9-4-2-5-10-17)26(25-22)18-11-6-3-7-12-18/h3,6-8,11-14,16-17H,2,4-5,9-10,15H2,1H3,(H,23,27)/t16-/m1/s1