3-[4-azanyl-5-(2-oxidanylidenecyclohexyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-azanyl-5-(2-oxidanylidenecyclohexyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(2-oxocyclohexyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(2-oxocyclohexyl)thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(2-oxocyclohexyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(2-ketocyclohexyl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SC3CCCCC3=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SC3CCCCC3=O

InChI

InChI=1S/C18H25N5O3S2/c1-3-22(4-2)28(25,26)14-9-7-8-13(12-14)17-20-21-18(23(17)19)27-16-11-6-5-10-15(16)24/h7-9,12,16H,3-6,10-11,19H2,1-2H3