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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)Cl

InChI

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