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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H17N5O4S2 MolecularWeight: 431.48868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S2/c1-19-29(26,27)14-9-10-16(15(11-14)23(24)25)28-18-21-20-17(12-7-8-12)22(18)13-5-3-2-4-6-13/h2-6,9-12,19H,7-8H2,1H3