2-chloranyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-4-nitro-benzamide Formula: C11H10ClN5O3S MolecularWeight: 327.7468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC

InChI

InChI=1S/C11H10ClN5O3S/c1-6-13-14-11(21-2)16(6)15-10(18)8-4-3-7(17(19)20)5-9(8)12/h3-5H,1-2H3,(H,15,18)