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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S/c1-3-4-9-19-14(22)16-17-15(19)25-10-13(21)18(2)11-5-7-12(8-6-11)20(23)24/h5-8H,3-4,9-10H2,1-2H3,(H,16,22)