3-(1H-indol-3-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS2/c1-14-6-8-15(9-7-14)13-27-21-25-24-20(28-21)23-19(26)11-10-16-12-22-18-5-3-2-4-17(16)18/h2-9,12,22H,10-11,13H2,1H3,(H,23,24,26)