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

Systemtic Name: 3-[4-azanyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[(3,3-dimethyl-2-oxobutyl)thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[(2-keto-3,3-dimethyl-butyl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S2/c1-6-22(7-2)28(25,26)14-10-8-9-13(11-14)16-20-21-17(23(16)19)27-12-15(24)18(3,4)5/h8-11H,6-7,12,19H2,1-5H3