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

Systemtic Name: 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzenesulfonamide Formula: C12H15N5O4S MolecularWeight: 325.3436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S/c1-10-3-4-11(7-12(10)17(18)19)22(20,21)15-5-2-6-16-9-13-8-14-16/h3-4,7-9,15H,2,5-6H2,1H3