4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C23H25N5O4S2/c1-2-15-27-22(17-9-5-3-6-10-17)24-25-23(27)33-21-14-13-19(16-20(21)28(29)30)34(31,32)26-18-11-7-4-8-12-18/h2,4,7-8,11-14,16-17,26H,1,3,5-6,9-10,15H2