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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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