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

Systemtic Name: N-(2-methoxyethyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methoxyethyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-22-6-5-14-11(19)8-23-13-15-12(16-17-13)9-3-2-4-10(7-9)18(20)21/h2-4,7H,5-6,8H2,1H3,(H,14,19)(H,15,16,17)