3-chloranyl-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=N3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=N3)C)Cl

InChI

InChI=1S/C16H14ClN5O4S/c1-9-14(17)7-13(8-15(9)22(23)24)27(25,26)21-12-5-3-4-11(6-12)16-18-10(2)19-20-16/h3-8,21H,1-2H3,(H,18,19,20)