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

Systemtic Name: N-(3-nitrophenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-nitrophenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-nitrophenyl)-2-[[2-(1-oxopropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-nitrophenyl)-2-[(5-phenyl-2-propionyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c1-2-17(26)23-19(21-18(22-23)13-7-4-3-5-8-13)29-12-16(25)20-14-9-6-10-15(11-14)24(27)28/h3-11H,2,12H2,1H3,(H,20,25)