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

Systemtic Name: 4-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-nitro-benzenesulfonamide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4S2/c1-11-3-8-14(9-15(11)21(22)23)27(24,25)19-12-4-6-13(7-5-12)26-16-18-17-10-20(16)2/h3-10,19H,1-2H3