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

Systemtic Name: N-tert-butyl-4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S2/c1-11(2)16-19-20-17(22(16)12-6-7-12)28-15-9-8-13(10-14(15)23(24)25)29(26,27)21-18(3,4)5/h8-12,21H,6-7H2,1-5H3