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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[2-(1-oxopropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[(5-phenyl-2-propanoyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[(5-phenyl-2-propionyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5S/c1-3-18(27)24-20(22-19(23-24)13-7-5-4-6-8-13)31-12-17(26)21-15-10-9-14(25(28)29)11-16(15)30-2/h4-11H,3,12H2,1-2H3,(H,21,26)