N-(4-ethylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-(2-oxolanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-16-5-7-18(8-6-16)24-20(28)15-30-22-26-25-21(17-9-11-23-12-10-17)27(22)14-19-4-3-13-29-19/h5-12,19H,2-4,13-15H2,1H3,(H,24,28)