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

Systemtic Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-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=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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