N-(2-ethylphenyl)-2-[[2-(3-nitrophenyl)carbonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[[2-(3-nitrophenyl)carbonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethylphenyl)-2-[[2-[(3-nitrophenyl)-oxomethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O4S/c1-2-17-9-6-7-14-21(17)26-22(31)16-35-25-27-23(18-10-4-3-5-11-18)28-29(25)24(32)19-12-8-13-20(15-19)30(33)34/h3-15H,2,16H2,1H3,(H,26,31)