3-phenyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-phenyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-phenyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-phenyl-N-[5-[(2,4,6-trimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-phenyl-N-[5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-phenyl-N-[5-[(2,4,6-trimethylbenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS2/c1-14-11-15(2)18(16(3)12-14)13-26-21-24-23-20(27-21)22-19(25)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23,25)