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

Systemtic Name: 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: N-(1-phenylethyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: N-(1-phenylethyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-15(17-8-4-3-5-9-17)23-21(27)16(2)30-22-25-24-20(19-11-7-13-29-19)26(22)14-18-10-6-12-28-18/h3-5,7-9,11,13,15-16,18H,6,10,12,14H2,1-2H3,(H,23,27)