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

Systemtic Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[5-[(3-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[5-[(3-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,5-dimethoxy-benzamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C19H16N4O3S2/c1-25-15-7-14(8-16(9-15)26-2)17(24)21-18-22-23-19(28-18)27-11-13-5-3-4-12(6-13)10-20/h3-9H,11H2,1-2H3,(H,21,22,24)