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

Systemtic Name: 3-(4-methoxyphenyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-14-3-5-16(6-4-14)13-26-20-23-22-19(27-20)21-18(24)12-9-15-7-10-17(25-2)11-8-15/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,22,24)