N-(3-iodanyl-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3-iodo-4-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3-iodo-4-methylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H14IN5O3S MolecularWeight: 495.29423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])I

InChI

InChI=1S/C17H14IN5O3S/c1-10-3-5-12(8-13(10)18)20-16(24)11-4-6-15(14(7-11)23(25)26)27-17-21-19-9-22(17)2/h3-9H,1-2H3,(H,20,24)