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

Systemtic Name: 3,5-ditert-butyl-N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-ditert-butyl-N-[5-(p-tolylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-ditert-butyl-N-[5-[[(4-methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-ditert-butyl-N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-ditert-butyl-N-[5-[(p-tolylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C25H31N3OS2 MolecularWeight: 453.66314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H31N3OS2/c1-16-8-10-20(11-9-16)30-15-21-27-28-23(31-21)26-22(29)17-12-18(24(2,3)4)14-19(13-17)25(5,6)7/h8-14H,15H2,1-7H3,(H,26,28,29)