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

Systemtic Name: 3,4-diethoxy-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4-diethoxy-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4-diethoxy-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-diethoxy-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4-diethoxy-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)OCC

InChI

InChI=1S/C21H23N3O3S2/c1-4-26-17-10-9-16(12-18(17)27-5-2)19(25)22-20-23-24-21(29-20)28-13-15-8-6-7-14(3)11-15/h6-12H,4-5,13H2,1-3H3,(H,22,23,25)