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

Systemtic Name: 3-chloranyl-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitro-benzenesulfonamide Formula: C16H14ClN5O4S2 MolecularWeight: 439.89646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2SC3=NN=CN3C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2SC3=NN=CN3C)Cl

InChI

InChI=1S/C16H14ClN5O4S2/c1-10-12(17)7-11(8-14(10)22(23)24)28(25,26)20-13-5-3-4-6-15(13)27-16-19-18-9-21(16)2/h3-9,20H,1-2H3