2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S/c1-4-5-8-20-15(23)18-19-16(20)26-9-13(22)17-14-11(3)10(2)6-7-12(14)21(24)25/h6-7H,4-5,8-9H2,1-3H3,(H,17,22)(H,18,23)