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

Systemtic Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: (2S)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: (2S)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: (2S)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-16(21(27)23-18-11-6-3-7-12-18)29-22-25-24-20(17-9-4-2-5-10-17)26(22)15-19-13-8-14-28-19/h2-14,16H,15H2,1H3,(H,23,27)/t16-/m0/s1