N-(2-chloranyl-4-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C11H10ClN5O3S MolecularWeight: 327.7468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC=NN2

InChI

InChI=1S/C11H10ClN5O3S/c1-6(21-11-13-5-14-16-11)10(18)15-9-3-2-7(17(19)20)4-8(9)12/h2-6H,1H3,(H,15,18)(H,13,14,16)