2-(3,4-dimethylphenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)nicotinamide Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N4OS2/c1-14-10-11-17(13-15(14)2)28-21-18(9-6-12-23-21)19(27)24-22-26-25-20(29-22)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,24,26,27)