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

Systemtic Name: 4-tert-butyl-N-[5-(phenylmethyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[5-(phenylmethyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-4-tert-butylbenzamide Traditional Name: N-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-4-tert-butyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-20(2,3)16-11-9-15(10-12-16)17(24)21-18-22-23-19(27-18)28(25,26)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,22,24)