N-(4-ethoxy-2-nitro-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-2-30-15-8-9-16(17(12-15)25(28)29)21-18(26)13-31-20-23-22-19(27)24(20)11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,26)(H,22,27)