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

Systemtic Name: 3-nitro-N-propan-2-yl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C14H19N5O4S2 MolecularWeight: 385.46176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4S2/c1-4-5-13-15-14(17-16-13)24-12-7-6-10(8-11(12)19(20)21)25(22,23)18-9(2)3/h6-9,18H,4-5H2,1-3H3,(H,15,16,17)