3-(3,4-dimethylphenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=NN=C(S2)CC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=NN=C(S2)CC(C)C)C

InChI

InChI=1S/C17H23N3OS2/c1-11(2)9-16-19-20-17(23-16)18-15(21)7-8-22-14-6-5-12(3)13(4)10-14/h5-6,10-11H,7-9H2,1-4H3,(H,18,20,21)