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

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S2/c1-4-12-23-18(14-8-6-5-7-9-14)20-21-19(23)29-17-11-10-15(13-16(17)24(25)26)30(27,28)22(2)3/h4,10-11,13-14H,1,5-9,12H2,2-3H3