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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S/c1-24-7-3-6-18-13(21)16-17-14(18)25-9-12(20)15-10-4-2-5-11(8-10)19(22)23/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,20)(H,16,21)