4-tert-butyl-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(o-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-(2-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-7-5-6-8-16(14)13-29(26,27)20-24-23-19(28-20)22-18(25)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,23,25)