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

Systemtic Name: 3,4,5-trimethoxy-N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[5-(p-tolylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[5-[[(4-methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[5-[(p-tolylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H21N3O4S2/c1-12-5-7-14(8-6-12)28-11-17-22-23-20(29-17)21-19(24)13-9-15(25-2)18(27-4)16(10-13)26-3/h5-10H,11H2,1-4H3,(H,21,23,24)