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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-3-6-18-13(21)16-17-14(18)24-8-12(20)15-10-5-4-9(2)11(7-10)19(22)23/h4-5,7H,3,6,8H2,1-2H3,(H,15,20)(H,16,21)