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

Systemtic Name: N-(2-cyanophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S2/c1-14(20(27)23-17-8-3-2-6-15(17)12-22)30-21-25-24-19(18-9-5-11-29-18)26(21)13-16-7-4-10-28-16/h2-3,5-6,8-9,11,14,16H,4,7,10,13H2,1H3,(H,23,27)