3-chloranyl-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C18H16ClN5O4S MolecularWeight: 433.86874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C4CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C3=NNC(=N3)C4CC4)Cl

InChI

InChI=1S/C18H16ClN5O4S/c1-10-14(19)8-12(9-16(10)24(25)26)29(27,28)23-15-5-3-2-4-13(15)18-20-17(21-22-18)11-6-7-11/h2-5,8-9,11,23H,6-7H2,1H3,(H,20,21,22)