N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide Traditional Name: N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O4S2/c1-3-12-29(25,26)17-7-5-4-6-16(17)19(24)21-20-23-22-18(28-20)13-14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,23,24)