N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O2S2/c1-3-4-12-26-17-7-5-6-16(13-17)20-23-24-21(28-20)22-19(25)14-27-18-10-8-15(2)9-11-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,24,25)