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

Systemtic Name: N-methyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C12H15N5O4S2 MolecularWeight: 357.4086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S2/c1-3-4-11-14-12(16-15-11)22-10-6-5-8(23(20,21)13-2)7-9(10)17(18)19/h5-7,13H,3-4H2,1-2H3,(H,14,15,16)