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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H11ClN6O3S/c1-6-15-16-11(17(6)13)22-5-10(19)14-9-3-2-7(18(20)21)4-8(9)12/h2-4H,5,13H2,1H3,(H,14,19)