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

Systemtic Name: N-(2-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-nitrophenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-nitrophenyl)-2-[[5-(4-pyridyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C20H20N6O4S/c27-18(22-16-5-1-2-6-17(16)26(28)29)13-31-20-24-23-19(14-7-9-21-10-8-14)25(20)12-15-4-3-11-30-15/h1-2,5-10,15H,3-4,11-13H2,(H,22,27)