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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4-nitro-phenyl)propanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C15H18ClN5O4S MolecularWeight: 399.85252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN5O4S/c1-3-4-7-20-14(23)18-19-15(20)26-9(2)13(22)17-12-6-5-10(21(24)25)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,22)(H,18,23)