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

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S2/c1-8(2)18-25(22,23)10-5-6-12(11(7-10)19(20)21)24-14-15-13(16-17-14)9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,15,16,17)