N-(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-3-12-25-20(15-6-5-7-17(13-15)26(28)29)23-24-21(25)31-14-19(27)22-16-8-10-18(11-9-16)30-4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,27)