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

Systemtic Name: N-(2-ethanoylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2CC3=CC=CO3)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2CC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C22H25N5O3S/c1-15(28)18-9-3-4-10-19(18)23-20(29)16(2)31-22-25-24-21(26-11-5-6-12-26)27(22)14-17-8-7-13-30-17/h3-4,7-10,13,16H,5-6,11-12,14H2,1-2H3,(H,23,29)