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

Systemtic Name: N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide Openeye Name: N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide CAS Name: N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-propoxybenzamide IUPAC Name: N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-propoxybenzamide Traditional Name: N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-propoxy-benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C

InChI

InChI=1S/C20H21N3O2S2/c1-3-11-25-17-10-6-9-15(12-17)18(24)21-19-22-23-20(27-19)26-13-16-8-5-4-7-14(16)2/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,24)