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

Systemtic Name: 4-tert-butyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3OS2/c1-14-6-5-7-15(12-14)13-26-20-24-23-19(27-20)22-18(25)16-8-10-17(11-9-16)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,23,25)