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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c1-14(27)16-7-9-17(10-8-16)23-21(28)15(2)31-22-25-24-20(19-6-4-12-30-19)26(22)13-18-5-3-11-29-18/h4,6-10,12,15,18H,3,5,11,13H2,1-2H3,(H,23,28)