N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)CSCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H19N3O3S2/c1-24-15-9-8-14(10-16(15)25-2)18-21-22-19(27-18)20-17(23)12-26-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,22,23)