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

Systemtic Name: 4-tert-butyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-tert-butylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS2/c1-20(2,3)16-11-9-15(10-12-16)17(24)21-18-22-23-19(26-18)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,22,24)