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

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-furylmethyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(2-furanylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-furfuryl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)NCC2=CC=CO2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NNC(=N2)C(C)C

InChI

InChI=1S/C13H18N4O2S/c1-8(2)11-15-13(17-16-11)20-9(3)12(18)14-7-10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,14,18)(H,15,16,17)/t9-/m1/s1