N-(3-iodanylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-iodanylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: N-(3-iodophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(3-iodophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-iodophenyl)acetamide Formula: C13H13IN4OS2 MolecularWeight: 432.30299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C13H13IN4OS2/c1-2-6-15-12-17-18-13(21-12)20-8-11(19)16-10-5-3-4-9(14)7-10/h2-5,7H,1,6,8H2,(H,15,17)(H,16,19)