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

Systemtic Name: 3-[4-azanyl-5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-amino-5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-amino-5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-amino-5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-amino-5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H30N6O3S2 MolecularWeight: 466.6206

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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)N3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N6O3S2/c1-3-25(4-2)31(28,29)17-11-9-10-16(14-17)19-22-23-20(26(19)21)30-15-18(27)24-12-7-5-6-8-13-24/h9-11,14H,3-8,12-13,15,21H2,1-2H3