[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H21N4O3S2- MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

InChI

InChI=1S/C21H22N4O3S2/c1-15-4-7-18(14-16(15)2)29-13-10-20(26)24-17-5-8-19(9-6-17)30(27,28)25-21-22-11-3-12-23-21/h3-9,11-12,14H,10,13H2,1-2H3,(H2,22,23,24,25,26)/p-1