N-(3-iodanyl-4-methyl-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(3-iodo-4-methylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-iodo-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C16H14IN5OS MolecularWeight: 451.28473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)I

InChI

InChI=1S/C16H14IN5OS/c1-11-7-8-12(9-14(11)17)18-15(23)10-24-16-19-20-21-22(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23)