N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H12ClN5O5S MolecularWeight: 421.81498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O5S/c1-28(26,27)11-3-4-12(17)13(7-11)20-16(23)10-2-5-14(15(6-10)22(24)25)21-9-18-8-19-21/h2-9H,1H3,(H,20,23)