3-[4-(2,6-dimethylphenyl)-5-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(2,6-dimethylphenyl)-5-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(2,6-dimethylphenyl)-5-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[4-(2,6-dimethylphenyl)-5-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(2,6-dimethylphenyl)-5-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(2,6-dimethylphenyl)-5-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide Formula: C25H24N6O3S3 MolecularWeight: 552.69146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC(=CC=C5)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC(=CC=C5)S(=O)(=O)N(C)C

InChI

InChI=1S/C25H24N6O3S3/c1-15-7-5-8-16(2)21(15)31-23(17-9-6-10-18(13-17)37(33,34)30(3)4)28-29-25(31)36-14-20-26-19-11-12-35-22(19)24(32)27-20/h5-13H,14H2,1-4H3,(H,26,27,32)