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

Systemtic Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-2-nitro-benzenesulfonamide Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S2/c1-20-10-17-18-16(20)27-13-6-3-11(4-7-13)19-28(24,25)15-8-5-12(26-2)9-14(15)21(22)23/h3-10,19H,1-2H3