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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C10H9ClN6O3S MolecularWeight: 328.73486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H9ClN6O3S/c11-6-2-1-5(3-7(6)17(19)20)13-8(18)4-21-10-14-9(12)15-16-10/h1-3H,4H2,(H,13,18)(H3,12,14,15,16)