N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H17N3O3S2/c1-12-2-4-13(5-3-12)11-26-19-22-21-18(27-19)20-17(23)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,21,23)