3,5-ditert-butyl-N-[5-(2-naphthalen-2-ylsulfanylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-ditert-butyl-N-[5-(2-naphthalen-2-ylsulfanylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-ditert-butyl-N-[5-[2-(2-naphthylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-ditert-butyl-N-[5-[2-(2-naphthalenylthio)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-ditert-butyl-N-[5-(2-naphthalen-2-ylsulfanylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-ditert-butyl-N-[5-[2-(2-naphthylthio)ethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C29H33N3OS2 MolecularWeight: 503.72182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CCSC3=CC4=CC=CC=C4C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CCSC3=CC4=CC=CC=C4C=C3)C(C)(C)C

InChI

InChI=1S/C29H33N3OS2/c1-28(2,3)22-15-21(16-23(18-22)29(4,5)6)26(33)30-27-32-31-25(35-27)13-14-34-24-12-11-19-9-7-8-10-20(19)17-24/h7-12,15-18H,13-14H2,1-6H3,(H,30,32,33)