N-tert-butyl-2-[[4-(2-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(2-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(2-ethoxyphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(2-ethoxyphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(2-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-(2-methyl-3-furyl)-4-o-phenetyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=C(OC=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=C(OC=C3)C

InChI

InChI=1S/C21H26N4O3S/c1-6-27-17-10-8-7-9-16(17)25-19(15-11-12-28-14(15)2)23-24-20(25)29-13-18(26)22-21(3,4)5/h7-12H,6,13H2,1-5H3,(H,22,26)