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

Systemtic Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCCOC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCCOC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S/c1-3-20-15(12-6-4-7-13(10-12)21(23)24)18-19-16(20)26-11-14(22)17-8-5-9-25-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,17,22)