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

Systemtic Name: N-(4-butylphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[3-(o-tolyl)-1,2,4-thiadiazol-5-yl]thio]acetamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)C3=CC=CC=C3C

InChI

InChI=1S/C21H23N3OS2/c1-3-4-8-16-10-12-17(13-11-16)22-19(25)14-26-21-23-20(24-27-21)18-9-6-5-7-15(18)2/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,22,25)