N,N-dimethyl-4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Openeye Name: N,N-dimethyl-4-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: N,N-dimethyl-4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCOC2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCCOC2=CC=C(C=C2)S(=O)(=O)N(C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H25N5O3S2/c1-4-13-25-19(16-9-11-21-12-10-16)22-23-20(25)29-15-14-28-17-5-7-18(8-6-17)30(26,27)24(2)3/h5-12H,4,13-15H2,1-3H3