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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C14H16ClN5O4S MolecularWeight: 385.82594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClN5O4S/c1-3-6-19-13(22)17-18-14(19)25-8(2)12(21)16-11-7-9(20(23)24)4-5-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,21)(H,17,22)