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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C11H11ClN6O3S MolecularWeight: 342.76144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NNC(=N2)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NNC(=N2)N

InChI

InChI=1S/C11H11ClN6O3S/c1-5(22-11-15-10(13)16-17-11)9(19)14-8-4-6(18(20)21)2-3-7(8)12/h2-5H,1H3,(H,14,19)(H3,13,15,16,17)