3-[5-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-allyl-5-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[(2,6-dimethyl-4-pyrimidinyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-allyl-5-[(2,6-dimethylpyrimidin-4-yl)thio]-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H26N6O2S2 MolecularWeight: 458.60014

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C21H26N6O2S2/c1-6-12-27-20(24-25-21(27)30-19-13-15(4)22-16(5)23-19)17-10-9-11-18(14-17)31(28,29)26(7-2)8-3/h6,9-11,13-14H,1,7-8,12H2,2-5H3