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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S2/c1-10(2)20-28(25,26)13-7-8-15(14(9-13)22(23)24)27-17-19-18-16(11-3-4-11)21(17)12-5-6-12/h7-12,20H,3-6H2,1-2H3