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

Systemtic Name: 2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitro-benzenesulfonamide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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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

Isomeric SMILES

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

InChI

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