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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H14IN5O3S MolecularWeight: 495.29423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14IN5O3S/c1-10-7-12(18)5-6-14(10)19-15(24)9-27-17-20-16(21-22-17)11-3-2-4-13(8-11)23(25)26/h2-8H,9H2,1H3,(H,19,24)(H,20,21,22)