N-(4,6-dimethylpyrimidin-2-yl)-4-(2-sulfanylidene-1H-quinazolin-4-yl)benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2-sulfanylidene-1H-quinazolin-4-yl)benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2-thioxo-1H-quinazolin-4-yl)benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-(2-sulfanylidene-1H-quinazolin-4-yl)benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2-sulfanylidene-1H-quinazolin-4-yl)benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2-thioxo-1H-quinazolin-4-yl)benzenesulfonamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C3=NC(=S)NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C3=NC(=S)NC4=CC=CC=C43)C

InChI

InChI=1S/C20H17N5O2S2/c1-12-11-13(2)22-19(21-12)25-29(26,27)15-9-7-14(8-10-15)18-16-5-3-4-6-17(16)23-20(28)24-18/h3-11H,1-2H3,(H,21,22,25)(H,23,24,28)